mitomycin B(1-)

An organic anion obtained by removal of the acidic proton from position 8 of mitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (R)-2-hydroxybutanoyl-CoA; major species at pH 7.3.


phosphatidylserine 36:4(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 4 double bonds.


Major species at pH 7.3.


7,3',5'-O-trimethylmyricetin 3-olate

Major microspecies at pH 7.3.


cardiolipin 78:12(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 78 carbons and 12 double bonds.


A dicarboxylic acid monoamide(1-) that is the conjugate base of varespladib resulting from the deprotonation of the carboxy group; major species at pH 7.3.


An inositol phosphomannosylinositol phosphophytoceramide(2-) having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.


Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group. Major species at pH 7.3.


queuosine 5'-phosphate(2-)

Major species at pH 7.3


Dianion of GDP-6-deoxy-alpha-D-talose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


beta-D-glucuronate

A D-glucopyranuronate that has beta configuration at the anomeric centre.


An organophosphate oxoanion obtained by deprotonation of the two diphosphate OH groups of alpha-NADH; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of etiocholan-3alpha-ol-17-one 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.


An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2,5-dichloro-4-oxohex-2-enedioic acid.


A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-6A; major species at pH 7.3.


The anion of DY-782.


stellatate

A monocarboxylic acid anion that is the conjugate base of stellatic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyisoheptadecanoyl-CoA.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3beta-hydroxychol-5-en-24-oyl-CoA; major species at pH 7.3.


The organophosphate oxoanion that is the dianion formed from the phosphatidylglycerol cardiolipin by loss of an electron from each of the phospho groups.


A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphate.


(omega-1)-hydroxy fatty acid anion

A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any (omega-1)-hydroxy fatty acid; major species at pH 7.3.


A monounsaturated fatty acid anion that is the conjugate base of 10-nonadecenoic acid.


trans,polycis-decaprenyl phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of trans,polycis-decaprenyl phosphate; major species at pH 7.3.


A fatty acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of (9S,13S)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoyl-CoA; major species at pH 7.3.


N-acyl-D-alpha-amino acid anion

The conjugate base of an N-acyl-D-alpha-amino acid arising from deprotonation of the C-1 carboxy group.


An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N(2)-[4-(2,4-dichlorophenoxy)butanoyl]-L-glutamine. The major species at pH 7.3.


phosphatidylserine 44:1-2OH(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 44 carbons in total with 1 double bond and 2 hydroxyl substituents.


The organophosphate oxoanion that is the trianion of TDP arising from deprotonation of the two diphosphate OH groups; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of beta-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-Gal-(1->4)-beta-Glc-(1<->1')-Cer; major species at pH 7.3.


Conjugate base of 3-hydroxyquinolin-4(1H)-one arising from deprotonation of the 3-hydroxy group; major species at pH 7.3.


grixazone A(1-)

An L-alpha-amino-acid anion that is the conjugate base of grixazone A, obtained by deprotonation of the carboxy group.


A 1-acyl-2-linoleoyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dilinoleoyl-sn-glycero-3-phosphate; major species at pH 7.3.


Dianion arising from deprotonation of the diphosphate OH groups of CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.


The dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol); major microspecies at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2-hydroxy-6-oxocyclohexane-1-carbonyl-CoA; major species at pH 7.3.


phosphatidylserine 34:1(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 1 double bond.


The conjugate base of (R)-3-hydroxybutyric acid.


An Ins-1-P-6-Man-1-6-Ins-1-P-Cer C(2-) in which the acyl group and the ceramide base contain a total of 44 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and the ceramide base hydroxylated at position 4.


Conjugate base of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid.


oxooctadecadienoate

An  polyunsaturated fatty acid anion that is any octadecadienoate that contains one or more oxo substituents.


An organic anion that is the conjugate base of hispidin resulting from the deprotonation of the 4-hydroxy group; major species at pH 7.3.


A dicarboxylic acid monoanion that is the conjugate base of galactaric acid.


Major species at pH 7.3


A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (11Z)-eicosenoyl-CoA.


name: magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester(1-)

description: The conjugate base of magnesium 13(1)-oxoprotoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17. It is the principal species at pH 7.3.


Trianion of N-[(R)-4-phosphopantothenoyl]-L-cysteine arising from deprotonation of carboxylic acid and phosphate functions.


The trianion of phytyl diphosphate.


Trianion of xanthosine 5'-diphosphate arising from deprotonation of all three OH groups of the diphosphate.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl phosphate; major species at pH 7.3.


A carboxylic acid anion obtained by global deprotonation of the carboxy groups of poly(4-vinylbenzoic acid).


A hydroxy fatty acid anion that is the conjugate base of 8-hydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An inositol phosphate oxoanion resulting from the removal of a proton from each of the phosphate groups of CDP-1L-myo-inositol. The major species at pH 7.3.


A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 7beta-hydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3.


name: Mo(VI)-oxido Se-molybdopterin cytosine dinucleotide(4-)

description: An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of Mo(VI)-oxido Se-molybdopterin cytosine dinucleotide(2-).


Trianion of trans,poly-cis-decaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


geranyl phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of geranyl phosphate; major species at pH 7.3.


A peptide anion that is the conjugate base of gamma-Glu-Abu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.


Conjugate base of (15Z)-12-oxophyto-10,15-dienoic acid.


3,3',5'-O-trimethylmyricetin 7-olate

Major microspecies at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (5E)-tetradecenoyl-CoA; major species at pH 7.3.


sulfohexosyl ceramide(1-)

An organosulfate oxoanion obtained by deprotonation of the sulfate group of any hexosylceramide sulfate.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1a; major species at pH 7.3.


The 2'-deoxyribonucleoside triphosphate oxoanion that is 5-methyl-dCTP protonated to pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3.


Trianion of 2-(carboxymethyl)-5-oxo-2,5-dihydro-3-furoic acid arising from deprotonation of the two carboxy groups as well as removal of the acidic proton at C2; major species at pH 7.3.


Conjugate base of 5-deoxy-D-glucuronic acid.


The dianion obtained by removal of the two acidic protons from the phosphate group of 2-amino-5-formylamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate.


A mannosylinositol phosphorylceramide(1-) in which the ceramide portion consists of a phytoceramide. As with other ceramide derivatives, The R substituents vary with different phytosphingoid bases and fatty acyl moieties.


The carboxylate anion of 4-(hydroxymethylphosphinyl)-2-oxobutyric acid.


imidazolyl carboxylic acid anion

A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of an imidazolyl carboxylic acid.


The conjugate base of 3alpha-hydroxyglycyrrhetinic acid; major species at pH 7.3.


phosphatidylserine O-30:2(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 30 carbons and 2 double bonds.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GP1calpha; major species at pH 7.3.


pentalenolactone D(1-)

A monocarboxylic acid anion that is the conjugate base of pentalenolactone D, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of pemetrexed.


A carboxylic acid anion resulting from the deprotonation of the carboxy group of 3-acetamido-4-hydroxybenzoic acid. The major microspecies at pH 7.3.


The conjugate base of N-11-cis-retinylidenephosphatidylethanolamine; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of chromopyrrolic acid; major microspecies at pH 7.3.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxytetradecanoyl-CoA.


A polyunsaturated fatty acid anion that is the conjugate base of 12(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A multi-methyl-branched fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (2S)-pristanoyl-CoA; major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) obtained by deprotonation of the sulfo group of N-stearoyl-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.


A pyrene compound having a hydroxy substituent at the 8-position and sulfonate groups in the 1-, 3- and 6-positions.


A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-5B; major species at pH 7.3.


penilactone B(1-)

Major microspecies at pH 7.3.


A saturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of isopentadecanoyl-CoA.


2-hydroxy fatty acid anion 22:0

A hydroxy fatty acid anion 22:0 in which the hydroxy substituent is located at position 2.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a haloacetic acid.


cis-parinarate

A straight-chain, unsaturated, long-chain fatty acid anion that is the conjugate base of cis-parinaric acid, arising from deprotonation of the carboxylic acid group.


A 6-oxo monocarboxylic acid anion that is the conjugate base of 3-isopropenyl-6-oxoheptanoic acid; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 17alpha-estradiol 7-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


An organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-[beta-D-xylosyl-(1->2)-beta-D-galactoside].


An unsaturated fatty acid anion that is the conjugate base of trans-2-dodecenoic acid obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of 2-(alpha-D-mannosyl)-D-glyceric acid


The dicarboxylic acid dianion formed from folic acid by loss of a proton from each of the two carboxy groups in the glutamic acid moiety.


estriol 17-O-(beta-D-glucuronide)(1-)

A steroid glucuronide anion that is the conjugate base of estriol 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3.


A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of vibrioferrin. The major species at pH 7.3.


L-isoleucinate

The L-enantiomer of isoleucinate.


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-4-dehydro-6-deoxy-alpha-D-gulose.


A dicarboxylic acid dianion resulting from removal of a proton from both carboxy groups of trans-2-carboxybenzylidenepyruvic acid.


A dicarboxylic acid dianion resulting from the deprotonation of the carboxy groups of (4E,15E)-bilirubin-IXalpha  C12-beta-D-glucosyluronic acid; major species at pH 7.3.


N-myristoylglycinate

An N-acylglycinate that is the conjugate base of N-myristoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion that is the conjugate base of glutamate(1-).


sphingosine 1-phosphate(1-)

The conjugate base of sphingosine 1-phosphate having an anionic phosphate group and a protonated amino group; major species at pH 7.3.


phosphatidylserine O-32:3(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 3 double bonds.


bis(hydroperoxy)icosatetraenoate

An icosanoid anion arising from deprotonation of the carboxylic acid function of any dihydroperoxyicosatetraenoic acid; major species at pH 7.3.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of any alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-[alpha-N-acetylneuraminosyl-(2->6)]-N-acetyl-beta-D-galactosaminide; major species ar pH 7.3.


The conjugate base of 3-(imidazol-5-yl)pyruvic acid; major species at pH 7.3.


beta-D-glucosiduronate

A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any beta-D-glucosiduronic acid; major species at pH 7.3.


The anion resulting from the removal of a proton from the carboxylic acid group of cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylic acid.


gamma-CEHC beta-glucuronide anion

A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of gamma-CEHC beta-glucuronide.


A 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronate)-6-O-sulfonato-D-galactopyranose(2-) in which the galactose moiety has beta-configuration at the anomeric centre.


Hexaanion of 1-(5-phospho-D-ribosyl)-ATP.


phosphatidylserine 32:0(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 32 carbons in total and 0 double bonds.


11-dehydro-thromboxane B2(1-)

A thromboxane anion that is the conjugate base of 11-dehydro-thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of (3S)-hydroxyadipyl-CoA.


fatty acid anion 16:0

Any saturated fatty acid anion containing 16 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


prostaglandin B2(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


1D-myo-inositol 1,2,3-trisphosphate(6-)

The hexaanion of 1D-myo-inositol 1,2,3-trisphosphate arising from global deprotonation of the phosphate OH groups. Major species at pH 7.3.


A 3-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of 2-aminobenzoylacetic acid; major species at pH 7.3.


An N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as oleoyl; major species at pH 7.3.


The conjugate base of N-(2,3-dihydroxybenzoyl)-L-serine; major species at pH 7.3.


An omega-hydroxy fatty acid anion resulting from deprotonation of the carboxy group of 21-hydroxyhenicosanoic acid. The major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 5beta-pregnane 3alpha,20alpha-diol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic group; major species at pH 7.3.


Major microspecies at pH 7.3


name: alpha-D-mannosyl-6-(1D-myo-inositol phospho)-(1<->6)-1D-myo-inositol-1-phospho-N-[(R)-2-hydroxy-very-long-chain fatty acyl]-(R)-4-hydroxysphingoid base(2-)


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of (R)-2-benzylsuccinyl-CoA.


squarate

A carbon oxoanion which is the dianion obtained by the deprotonation of the hydroxy group of hydrogensquarate.


A hydroxy monocarboxylic acid anion that is the conjugate base of 2-hydroxy-3-methylbutyric acid, formed by loss of a proton from the carboxy group.


The tetra-anion obtained by removal of all of the protons from the phosphate groups of D-glycero-alpha-D-manno-heptose 1,7-bisphosphate.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 2''-O-(2-hydroxyisobutanoyl)-ADP-D-ribose; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 1-deoxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of 15,17(3)-seco-F430-17(3)-acid; major species at pH 7.3.


hepoxilin anion

Any straight-chain fatty acid anion that is the conjugate base of a mono-hydroxy epoxy icosatrienoic acid formed when the carboxy group of the carboxylic acid is deprotonated.


N-oleoyl-L-isoleucinate

An N-acyl-L-alpha-amino acid anion resulting from the deprotonation of the carboxy group of N-oleoyl-L-isoleucine. The major species at pH 7.3.


Published in DOI: 10.1021/acscatal.1c04321


A HPETE anion obtained by deprotonation of the carboxy group of 9(R)-HPETE; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (4Z,8E,10Z,12E,14S,16Z,19Z)-14-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


Trianion of tri-trans,poly-cis-undecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


tricosanoate

A very long-chain fatty acid anion that is the conjugate base of tricosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion resulting from deprotonation of the two phosphate OH groups of 12-aminolauroyl tripalmitoyl cardiolipin.


An inositol phosphomannosylinositol-1-phosphodihydroceramide(2-) obtained by deprotonation of the free phosphate OH group of inositol phosphomannosylinositol-1-phospho-C20-dihydroceramide; major species at pH 7.3.


The benzoate anion formed by proton loss from the carboxy group of 4-isothiocyanatobenzoic acid


A dihydroxybenzoate that is the conjugate base of 5-methylorsellinic acid, obtained by the deprotonation of the carboxy group. It is the major species at pH 7.3.


A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxytetracosanoic acid (also known as 2-hydroxylignoceric or cerebronic acid), obtained by deprotonation of the carboxy group; major species at pH 7.3.


medium-chain fatty acyl-CoA(4-)

An acyl-CoA oxoanion that results from deprotonation of the phosphate and diphosphate groups of any medium-chain fatty acyl-CoA; major species at pH 7.3.


Any glycero-3-monophosphate carrying a single alkenyl substituent in an unspecified position (sn-1, sn-2 or sn-3).


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-methyladipic acid.


7(1)-hydroxychlorophyllide a(1-)

A cyclic tetrapyrrole anion that is the conjugate base of 7(1)-hydroxychlorophyllide a, arising from deprotonation of the carboxy group.


trans-caffeate

The conjugate base of trans-caffeic acid; major species at pH 7.3.


(4Z,7Z)-deca-4,7-dien-1-yl sulfate

An organosulfate oxoanion that is the conjugate base of (4Z,7Z)-deca-4,7-dien-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


urocanate

An monocarboxylic acid anion that is the conjugate base of urocanic acid.


A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of 2'-deoxyadenosine 5'-diphosphate (dADP); major species at pH 7.3.


An N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as hexadecanoyl; major species at pH 7.3.


Pentacarboxylate anion of N-formylmethanofuran; major species at pH 7.3.


nonylsulfamate

An organic sulfamate oxoanion that is the conjugate base of nonylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


An icosanoid anion that is the conjugate base of (6Z,8E,10E,14Z,16E,18R)-5,12,18-trihydroxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 3-hydroxyglutaric acid; major species at pH 7.3.


The dicarboxylate anion of limonoic acid; major species at pH 7.3.


A monocarboxylic acid anion and organophosphate oxoanion resulting from the deprotonation of both the carboxy group and the phosphate group of ditrans,polycis-dodecaprenyl phosphate-GalA. The major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-valienol; major species at pH 7.3.


The conjugate base of L-gamma-glutamyl-L-cysteinyl-beta-alanine having an anionic carboxy terminus and a zwitterionic gamma-glutamyl residue; major species at pH 7.3.


alpha-D-glucosiduronate

The carboxylate anion formed from an alpha-D-glucosiduronic acid


lithocholate sulfate(2-)

A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of lithocholic acid sulfate; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 11-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


catechol beta-D-glucuronide(1-)

A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy group of catechol beta-D-glucuronide.


An organic anionic group obtained by deprotonation of the phosphinic acid and the carboxylic acid groups; major microspecies at pH 7.3.


An aldehydic acid anion resulting from the deprotonation of the carboxy group of (2Z,4E)-4-hydroxymuconic semialdehyde.


N-carbamoyl-L-alaninate

An N-carbamoyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-carbamoyl-L-alanine; major microspecies at pH 7.3.


A tetrahydro-4-hydroxyphenylpyruvate obtained by deprotonation of the carboxy group of 3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid; major species at pH 7.3.


cholanic acid conjugate anion

An organic anion obtained by deprotonation of any cholanic acid conjugate.


13,14-dihydro-15-oxolipoxin A4(1-)

A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydro-15-oxolipoxin A4; major species at pH 7.3.


beta-alanyl-5'-AMP zwitterion

Major microspecies at pH 7.3


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-aminophenylglyoxylic acid, obtained by deprotonation of the carboxy group.


A tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid.


mycobilin b(2-)

A linear tetrapyrrole anion obtained by deprotonation of the two carboxy groups of mycobilin b; major species at pH 7.3.


An acyl-CoA(4-)in which the acyl moiety contains 26 carbons and 1 double bond. Major species at pH 7.3.


A phenolate anion that is the conjugate base of 2'-O-methyllicodione, obtained by deprotonation of the phenolic hydroxy group at position 4; major species at pH 7.3.


A hydroperoxyoctadecatrienoate obtained by deprotonation of the carboxylic acid group of (9Z,11S,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid. Major microspecies at pH 7.3.


alpha,alpha-trehalose 6-phosphate(2-)

Dianion of alpha,alpha-trehalose 6-phosphate.


A nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-beta-D-manno-octulosonic acid; major species at pH 7.3.


benzenesulfonate

The simplest of the class of benzenesulfonates, in which the benzene nucleus carries no other substituents.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of GDP-L-galactose; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 5-[(9Z)-octadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cardiolipin 80:16(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 80 carbons and 16 double bonds.


A polyanionic polymer obtained by deprotonation of the phosphate and diphosphate groups of 4-O-[poly(2-beta-D-glucosyl-1-D-ribitylphosphonato)-1-D-ribitylphosphonato-(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate; major species at pH 7.3.


An L-alpha-amino-acid anion obtained by deprotonation of the carboxy group of N-(gamma-L-glutamyl)-2-naphthylamine.


A docosanoid anion that is the conjugate base of (7Z,10Z,14E,16Z,19Z)-13-oxodocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of 15(S)-HPETE arising from deprotonation of the carboxylic acid function.


A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl component is specified as heptaprenyl.


monoalkyl-sn-glycerol 3-phosphate(2-)

An sn-glycerol 3-phosphate(2-) that is sn-glycerol 3-monophosphate(2-) bearing a single alkyl substituent at an unspecified position.


2-deoxy-D-ribofuranose 1-phosphate(2-)

Dianion of 2-deoxy-D-ribofuranose 1-phosphate.


Major species at pH 7.3


gibberellin A14 aldehyde(1-)

A carboxylic acid anion obtained by deprotonation of the carboxy group of gibberellin A14 aldehyde.


A 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(3-methylthiopropyl)maleic acid; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxodecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.


A N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as hexadecanoyl (palmitoyl).


A CDP-diacylglycerol(2-) obtained by deprotonation of the diphosphate OH groups of CDP-1-palmitoyl-2-arachidonoyl-sn-glycerol; major species at pH 7.3.


A tricarboxylic acid trianion that is the conjugate base of 3-oxalomalic acid.


Dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups.


An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (9S,10R)-10-hydroxy-9-(phosphonatooxy)octadecanoic acid; major species at pH 7.3.


A 2-(omega-methylthio)alkylmaleate(2-) obtained by deprotonation of both carboxy groups of 2-(2-methylthio)ethylmaleic acid; major species at pH 7.3.


A carbohydrate acid anion obtained by deprotonation of the carboxy group of any 3-deoxy-D-manno-octulosonic acid


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,15Z,18Z,21Z,24Z)-3-hydroxytriacontatetraenoyl-CoA; major species at pH 7.3.


Tetraanion of NADPH arising from deprotonation of the diphosphate and phosphate OH groups; major species at pH 7.3.


A C78 alpha-mycolate having a C52 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


A peptide anion formed by deprotonation of the terminal carboxy group of N-tetradecanoylglycylpeptide. Major species at pH 7.3.


An organophosphate oxoanion resulting the from removal of two protons from the phosphate group of 1-C-(indol-3-yl)glycerol 3-phosphate.


An organic anion that is the conjugate base of atromentin, obtained from the deprotonation of one of the hydroxy groups of the 1,4-benzoquinone moiety. It is the major species at pH 7.3.


An 2-oxo-3-(phosphooxy)propyl 3-oxoalkanoate that results from deprotonation of the phosphate and diphosphate groups of any medium-chain fatty 2-oxo-3-(phosphooxy)propyl 3-oxoalkanoate; major species at pH 7.3.


nocamycin E(2-)

A carboxylic acid dianion that is a dianion resulting from the deprotonation of the carboxy group and the enol group of nocamycin E. The major species at pH 7.3.


N-hydroxy-L-tyrosinate

Conjugate base of N-hydroxy-L-tyrosine.


The conjugate base of trans-2-chloro-4-carboxymethylenebut-2-en-1,4-olide; major species at pH 7.3.


D-glucuronate 1-phosphate

A carbohydrate acid derivative anion arising from selective deprotonation of the carboxy function of D-glucuronic acid 1-phosphate.


zealexin A1(1-)

A monocarboxylic acid anion resulting forom the deprotonation of the carboxy group of zealexin A1. The major speciess at pH 7.3.


An organic anion that is the conjugate base of 3,6-dihydroxypyridine-2,5-dione, obtained by selective deprotonation of the hydroxy group at positions 2.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxy-3-(methylthio)propanoyl; major species at pH 7.3.


Dianion of (R)-2-O-sulfolactic acid arising from deprotonation of carboxylic acid and sulfate functions.


This is compound 12 in pmid:30809363


succinyladenosine anion

A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of succinyladenosine


A dimethylbenzoate in which the two methyl groups are located at positions 3 and 4.


The trianion arising from deprotonation of the diphosphate hydroxy groups and the imide nitrogen of 6-hydroxy-FAD.


D-glucitol 6-phosphate(2-)

Dianion of D-glucitol 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


An N-acyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of any N-(12-hydroxyjasmonyl)-L-alpha-amino acid.


ganglioside GD1(2-)

An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of any member of the GD1 family of gangliosides; major species at pH 7.3.


A 14-HDoHE(1-) that is the conjugate base of (14S)-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


oxidized eicosatetraenoyl-CoA(4-)

An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any oxidized eicosatetraenoic acid; major species at pH 7.3.


An alpha-amino-acid anion that is the conjugate base of (2S,5S)-5-carboxymethylproline, obtained by deprotonation of the two carboxy groups and protonation of the endocyclic amino group.


A peptide anion that is the conjugate base of gamma-Glu-His, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.


The ribonucleoside triphosphate oxoanion that is 5-methyl-CTP protonated to pH 7.3.


An 3-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyisopentadecanoyl-CoA; the major species at pH 7.3.


Dianion of ADP-L-glycero-D-manno-heptose arising from deprotonation of both free OH groups of the diphosphate.


4-(acetylamino)-3-hydroxyphenyl sulfate

A phenyl sulfate oxoanion that is the conjugate base of 4-(acetylamino)-3-hydroxyphenyl hydrogen sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.


A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-cystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.


A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-palmitoyl-sn-glycero-3-phosphoserine.


Trianion of UDP-6-sulfoquinovose arising from deprotonation of diphosphate and sulfonate OH groups; major species at pH 7.3.


A 2',3'-dideoxyribonucleoside monophosphate oxoanion obtained from 2',3'-dideoxythymidine phosphate by deprotonation of the phosphate OH groups; major species at pH 7.3


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA.


A nucleotide-sugar oxoanion that is the conjugate base of UDP-alpha-D-galactosamine, arising from deprotonation of the diphosphate group and protonation of the amino group.


An optically active form of 4-hydroxy-2-oxoglutarate(2-) having L-configuration.


sulfosungeidine F

Major microspecies at pH 7.3.


N-acetyl-beta-alaninate

Conjugate base of N-acetyl-beta-alanine; major species at pH 7.3.


A methoxybenzoate that is the conjugate base of 3-methoxybenzoic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3.


leukotriene E4(1-)

The leukotriene anion that is the conjugate base of leukotriene E4 arising from deprotonation of the two carboxy groups and protonation of the cysteinyl alpha-amino group.


prostaglandin H1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin H1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


all-trans-undecaprenyl diphosphate(3-)

Trianion of all-trans-undecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


A bile acid anion that is the conjugate base of 7alpha-hydroxy-3-oxochol-4-en-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


p-azobenzenesulfonate

A benzenesulfonate that is the conjugate base of p-azobenzenesulfonic acid.


The conjugate base of 5-oxo-D-proline; major species at pH 7.3.


An oxo monocarboxylic acid anion that is the conjugate base of loxoprofen, obtained by deprotonation of the carboxy group.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of N-carbamoyl-D-phenylglycine. The major microspecies species at pH 7.3.


epoxydocosahexaenoate

A docosanoid anion arising from deprotonation of the carboxylic acid function of any epoxydocosahexaenoic acid.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,13Z)-icosadienoyl-CoA; major species at pH 7.3.


The anion formed from 6,7-dimethyl-8-(1-D-ribityl)lumazine by removal of a proton from the nitrogen at position 3 (i.e. between the oxo groups).  It is the major species at physiological pH.


The conjugate base of a succinic acid monoester having an isopropyl substituent at the 2-position and a hydroxy substituent at the 3-position.


limonin 17-beta-D-glucoside(1-)

The conjugate base of limonin 17-beta-D-glucoside arising from deprotonation of the carboxy group.


homovanillate

A  hydroxy monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of homovanillic acid.


An icosanoid anion arising from deprotonation of the carboxylic acid function of 5(S)-hydroperoxy-18(R)-hydroxy-(6E,8Z,11Z,14Z,16E)-icosapentaenoic acid; major species at pH 7.3.


glutaminate

An alpha-amino-acid anion that is the conjugate base of glutamine, arising from deprotonation of the carboxy group.


An unsaturated fatty acid anion arising from deprotonation of the carboxylic acid function of any epoxyicosatetraenoic acid.


A 15-HETE(1-) that is the conjugate base of 15(R)-HETE(1-), obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 5alpha-androstan-3beta,17alpha-diol disulfate anion obtained by deprotonation of both sulfo groups of 5alpha-androstan-3beta,17alpha-diol disulfate.


octatriacontapentaenoate

A polyunsaturated fatty acid anion that is the conjugate base of octatriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A ribonucleoside triphosphate oxoanion that is the trianion of adenosine 5'-triphosphate arising from deprotonation of three of the four free triphosphate OH groups.


An organosulfate oxoanion that is the conjugate base of N-acetyl-beta-D-galactosaminyl-(1->6)-[6-O-sulfo-beta-D-glucosyl-(1->3)]-N-acetyl-beta-D-galactosamine, arising from deprotonation of the sulfate OH group.


homomethioninate

The alpha-amino-acid anion that is the conjugate base of homomethionine obtained by deprotonation of the carboxy group.


A flavonoid oxoanion resulting from the deprotonation of the hydroxy groups at positions 5 and 7 of the flavonoid ring of myricetin 3-O-[(6-O-trans-4-coumaroyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside]. Identified in Fig. S21 peak 2 of PMID:29967287.


5'-adenylyl sulfate(2-)

An organic dianion arising from deprotonation of the phosphate and sufate groups of 5'-adenylyl sulfate; major species at pH 7.3.


lysophosphatidylinositol 16:0(1-)

A lysophosphatidyl-1D-myo-inositol(1-) in which the remaining acyl group (position not specified) contains 16 carbons and 0 double bonds.


A tetratriacontapentaenoate that is the conjugate base of (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of threo-3-methyl-L-aspartic acid.


L-rhamnulose 1-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-rhamnulose 1-phosphate; major species at pH 7.3.


inositol phosphate oxoanion

Any organophosphate oxoanion derived from an inositol phosphate.


inositol phosphophytoceramide(1-)

An inositol phosphoceramide(1-) in which a D-myo-inositol residue is linked via a phosphodiester bridge to any phytoceramide moiety; major species at pH 7.3.


A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-hexadecanoyltaurine; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3',2'-cGAMP; major species at pH 7.3.


deacetoxycephalosporin C(1-)

Conjugate base of deacetoxycephalosporin C


A cephalosporin carboxylic acid anion having methoxy, 2-thienylacetamido and carbamoyloxymethyl side-groups, formed by proton loss from the carboxy group of the semisynthetic cephamycin antibiotic cefoxitin.


methoxy mycolate

An ultra-long-chain fatty acid anion that is the conjugate base of methoxy mycolic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The monoanion formed by loss of a carboxylate proton from an aryl(methyl)malonic acid.


Dianion of an N-acyl-D-aspartic acid arising from deprotonation of both carboxylic acid groups.


A carbohydrate acid derivative anion obtained by deprotonation of the phosphate and carboxy groups of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate


An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of alpha-NADPH; major species at pH 7.3.


isomyristate

A methyl-branched fatty acid anion that is the conjugate base of 12-methyltridecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of daidzein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


pyroglutamylvalinate

A peptide anion that is the conjugate acid of pyroglutamylvaline, obtained by deprotonation of the carboxy group; major species at pH 7.3.


L-serinate

A serinate that is the conjugate base of L-serine, obtained by deprotonation of the carboxy group.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#17-CoA; major species at pH 7.3.


Conjugate base of (3R)-3-hydroxy-L-aspartic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3.


An acyl-CoA(4-) that is the tetraanion of 2-fluorobenzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.


An alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group


short-chain fatty acid anion

Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6).


An octadecadienoyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (11E,13Z)-octadecadienoyl-CoA; major species at pH 7.3.


A phenolate anion that is the conjugate base of 4-hydroxy-6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 3-hydroxy fatty acyl-CoA resulting from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxypentanoic acid.


Pentaanion of 5-hydroxythiophene-2-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions as well as the hydroxythiophene moiety.


enolate

An organic anion arising from deprotonation of the hydroxy group of an enol.


A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl).


Dianion of 6-O-phosphono-D-glucono-1,5-lactone arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


glycerol 1-phosphoserine(1-)

A organophosphate oxoanion that is the conjugate base of glycerol 1-phosphoserine; major species at pH 7.3.


chondroitin 6'-sulfate anion

A polysaccharide acid oxoanion arising from global deprotonation of the carboxylic and sulfonic acid groups of the repeating units in chondroitin 6'-sulfate; major species at pH 7.3.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA; major species at pH 7.3.


A monounsaturated fatty acyl-CoA(4-) obtaned by deprotonation of phosphate and diphosphate functions of (2E)-tricosenoyl-CoA; major species at pH 7.3.


dicarboxylic acid monoamide(1-)

A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any dicarboxylic acid monoamide; major species at pH 7.3.


A trihydroxyicosatrienoate that is the conjugate base of 11,14,15-trihydroxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An inositol phosphodihydroceramide(1-) in which the N-acyl group is specified as tricontanoyl; major species at pH 7.3.


Conjugate base of an N-acyl-L-aspartic acid.


A hydroxydocosapentaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z)-14-hydroxydocosapentaenoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


1-deoxy-D-xylulose 5-phosphate(2-)

Dianion of 1-deoxy-D-xylulose 5-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide; major species at pH 7.3.


A long-chain fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-methylhexadecanoyl-CoA; major species at pH 7.3


Pentaanion of 3-oxopimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


An acyl-CoA oxoanion that results from the removal of four protons from the phosphate groups of fluoroacetyl-CoA. Protonated to pH 7.3.


Dianion of GDP-D-glycero-alpha-D-manno-heptose arising from deprotonation of both free OH groups of the diphosphate.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-methylglutaric acid.


N-benzoylanthranilate

A benzoate that is the conjugate base of N-benzoylanthranilic acid arising from deprotonation of the carboxy group.


gallate

A trihydroxybenzoate that is the conjugate base of gallic acid.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#29-CoA; major species at pH 7.3.


phosphatidylserine 30:1(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 30 carbons in total and 1 double bond.


A  monocarboxylic acid anion that is the conjugate base of desmethylnaproxen, obtained by deprotonation of the carboxy group; major species at pH 7.3.


L-tyrosine methyl ester 4-sulfate(1-)

A phenyl sulfate oxoanion arising from arising from deprotonation of the sulfate OH group of L-tyrosine methyl ester 4-sulfate; major species at pH 7.3.


A phenolate anion obtained by deprotonation of the 2-hydroxy group of (1'S,5'S)-5'-hydroxyaverantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of both free diphosphate OH groups of UDP-2-acetamido-2,6-dideoxy-alpha-D-xylo-hex-4-ulose; major species at pH 7.3.


fatty acid anion 15:0

Any saturated fatty acid anion containing 15 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


o-orsellinate depsidate(1-)

Conjugate base of o-orsellinate depside.


The monocarboxylate anion of cromoglycic acid.


A carbohydrate acid anion that is the conjugate base of 5-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 12-HPEPE anion that is the conjugate base of 12(S)-HpEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


Octacarboxylate anion of precorrin-6X.


hexadecanoate

A long-chain fatty acid anion that is the conjugate base of hexadecanoic acid (palmitic acid); major species at pH 7.3.


anionic ganglioside

Any carbohydrate acid derivative anion obtained by deprotonation of at least one of the neuraminosyl carboxy groups of a ganglioside.


tropate

A hydroxy monocarboxylic acid anion that results from the deprotonation of the carboxylic acid group of tropic acid.


The alpha-amino-acid anion formed by loss of a proton from the carboxy group of 4-hydroxyproline.


lissamine flavine FF(1-)

An organosulfonate oxoanion obtained by deprotonation of the sulfo group of lissamine flavine FF.


An omega-hydroxy fatty acid anion that is the conjugate base of 20-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An anionic ganglioside that is the conjugate base alpha-N-acetylneuraminosyl-(2->3)-[beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.


A 2-monolysocardiolipin(2-) obtained by deprotonation of both free phosphate OH groups of 2-capryloyl-2'-monolysocardiolipin.


phosphatidylserine 30:6(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 30 carbons in total and 6 double bonds.


ent-glycosmisate

A monocarboxylic acid anion that is the conjugate base of ent-glycosmisic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


retinoid glucosiduronic acid anion

A carbohydrate acid derivative anion formed by deprotonation of the carboxy group(s) of any retinoid glucosiduronic acid.


A dicarboxylic acid monoanion that is the conjugate base of iminoaspartic acid  and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A monounsaturated fatty acid anion that is the  conjugate base of (2E)-hexenoic acid.


name: archaeal dolichyl 3-O-(2,3-diacetamido-2,3-dideoxy- beta-D-glucuronsyl)-N-acetyl- alpha-D-glucosaminyl phosphate(2-)

description: An organophosphate oxoanion obtained by deprotonation of the phosphate group of any archaeal dolichyl 3-O-(2,3-diacetamido-2,3-dideoxy- beta-D-glucuronsyl)-N-acetyl- alpha-D-glucosaminyl phosphate; major species at pH 7.3.


An anionic ganglioside that is the conjugate base of beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1)-Cer(d20:1) arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.


A steroidal acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of allodeoxycholoyl-CoA; major species at pH 7.3.


Conjugate base of aminomalonic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3.


ganglioside GM1/1b(1-)

An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of any member of the GM1/1b family of gangliosides; major species at pH 7.3. GM1/1b ganglioside head groups include 4 neutral sugar groups and 1 sialic acid group.


A carbohydrate acid derivative anion that is the conjugate base of 2-O-[alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid arising from deprotonation of the carboxy group; major species at pH 7.3.


The D-enantiomer of tyrosinate(2-).


Major species at pH 7.3


Dianion of dTDP-D-galactose.


A monocarboxylic acid anion that is the conjugate base of platensimycin resulting from the deprotonation of the carboxy group; major species at pH 7.3.


(E,E)-bilirubin anion

A linear tetrapyrrole anion obtained by deprotonation of at least one of the carboxy groups of (E,E)-bilirubin.


An organophosphate oxoanion obtained by deprotonation of the phosohate and carboxy groups of L-threonylcarbamoyladenylate.


hexadecadienoate

A polyunsaturated fatty acid anion that is the conjugate base of hexadecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 24 carbons, 1 double bond and a hydroxy group at C2.


An optically active form of tyrosinate having L-configuration.


An acyl-CoA(4-) resulting from the removal of all four protons from the phosphate and diphosphate groups of (2S)-ibuprofenoyl-CoA; major species at pH 7.3.


A multi-methyl-branched fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of pristanoyl-CoA; major species at pH 7.3.


chlorophenoxyacetate anion

A monocarboxylic acid anion obtained by deprotonation of the carboxy group of any chlorophenoxyacetic acid.


A monocarboxylic acid anion that is the conjugate base of 4,4'-diapolycopen-4-oic acid; obtained by deprotonation of the carboxy group; major species at pH 7.3.


A (2R)-2-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (R)-3-phenyllactic acid.


A hydroxy fatty acid anion that is the conjugate base of (9Z)-12-hydroxyoctadec-9-enoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 2-hydroxy carboxylate that results from the removal of a proton from the carboxylic acid group of 3-phenyllactic acid.


An optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4R,7R)-4-isopropenyl-7-methyloxepan-2-one.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (S)-imazapyr.


A steroid glucuronide anion that is the conjugate base of estriol 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.


Flavin protonated to pH 7.3


An N-acyllysophosphatidylethanolamine(1-) in which the N-acyl group is specified as icosanoyl while the phosphatidyl acyl group is specified as oleoyl; major species at pH 7.3.


Major microspecies at pH 7.3.


The conjugate base of 3-mercaptopyruvic acid.


A 2-hydroxy-6-oxo-2,4-heptadienoate which has 2Z,4E configuration. Obtained by deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid, it is the major species at pH 7.3.


An acyl-CoA(4-) that is the tetraanion of 2-furoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


A linear 5'-hydroxy-diadenylate with a cyclic 2',3' phosphate terminus; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 18-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


naptalamate

A monocarboxylic acid anion that is the conjugate base of naptalam; major species at pH 7.3.


A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of any 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphate; major species at pH 7.3.


NSC 56820(2-)

An arenesulfonate oxoanion that is a dianion resulting from the removal of a proton from all three sulfonic acid groups of NSC 56820 and the protonation of its imino nitrogen. The disodium salt is the biological stain C.I. Acid Blue 22, also known as water blue.


Sirius red F3B(6-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red F3B (acid form).


phosphatidylglycerol 36:2(1-)

A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total with 2 double bonds.


thromboxane anion

A prostanoid anion that is the conjugate base of a thromboxane.


triflate

An organosulfonate oxoanion resulting from the removal of a proton from the sulfonic acid group of triflic acid.


monocarboxylic acid anion

A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated.


phosphatidylserine 48:0(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 48 carbons in total and 0 double bonds.


An organophosphate oxoanion that is the hexaanion formed from 2'-(5-triphosphoribosyl)-3'-dephospho-CoA by global loss of protons from the di- and tri-phospho groups.


Any octadecatrienoate having double bonds at positions 9, 11 and 15.


An icosanoid anion that is the conjugate base of 5,20-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


neurotensin (1-7)(1-)

A peptide anion of neurotensin (1-7) resulting from the deprotonation of the carboxy groups of L-alpha-glutamyl and L-proline residues, and protonation of the side chain of L-lysyl group. It is the major species at pH 7.3.


A fatty acyl-AMP(1-) obtained by deprotonation of the phosphate OH group of tetradecanoyl-AMP; major species at pH 7.3.


A C81 alpha-mycolate having a C55 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


An oxo dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 2-hydroxy-3-oxosuccinic acid; major species at pH 7.3.


omega-hydroxydotriacontanoate

A hydroxy fatty acid anion that is the conjugate base of omega-hydroxydotriacontanoic acid, obtained by deprotonation of the carboxy group.


inositol C20 phosphodihydroceramide(1-)

An inositol phosphoceramide(1-) in which a D-myo-inositol residue is linked via a phosphodiester bridge to a C20 dihydroceramide moiety; major species at pH 7.3.


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-trihomoaconitic acid; major species at pH 7.3.


An oxo dicarboxylic acid dianion that is the conjugate base of 2-oxosuberic acid resulting from the deprotonation of the two carboxy groups. Major microspecies at pH 7.3.


A steroidal acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any cholestanoyl-CoA; major species at pH 7.3.


An anionic ganglioside that is the conjugate base of N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-glycoloylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide arising from deprotonation of the glycoloylneuraminosyl carboxy group; major species at pH 7.3.


A phenolate anion that is the conjugate base of 2',3,4,4',6'-pentahydroxychalcone, obtained by selective deprotonation of the phenolic hydroxy group at position 2'; major species at pH 7.3.


ferroheme c(2-)

The cyclic tetrapyrrole anion that is ferroheme c protonated to pH 7.3.


A 14,15-EET(1-) that is the conjugate base of (14S,15R)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dimethylbenzoate in which the two methyl groups are located at positions 2 and 3.


andrastin A(1-)

An enolate anion resulting from the deprotonation of the enol group of andrastin A. Major species at pH 7.3. Published in Tetrahedron, 2013, 69(38), 8199-8204. http://dx.doi.org/10.1016/j.tet.2013.07.029


An anionic C5 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinolinium substituents at either end.


Major microspecies at pH 7.3.


methyl aklanonate(1-)

A phenolate anion obtained by deprotonation of 1-hydroxy group of methyl aklanonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


coproporphyrinogen III(4-)

Tetracarboxylate anion of coproporphyrinogen III.


An organic anion that is the major structure at pH 7.3 of 7-hydroxyisoflavone.


An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of descarbamoylnovobiocin.


A monocarboxylic acid anion that is the conjugate base of 9-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#23-CoA; major species at pH 7.3.


A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the glutamyl alpha-amino group of (13R)-S-cysteinylglycinyl-(14S)-hydroxy-(4Z,7Z,9E,11E,16Z,19Z)-docosahexaenoic acid; major species at pH 7.3.


lipid IIB(2-)

A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid IIB; major species at pH 7.3.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-vancosamine, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3.


An organosulfate oxoanion resulting from the removal of a proton from the sulfate group of N-acetyl-beta-D-galactosamine 6-sulfate.


trans-urocanate

A urocanate obtained by deprotonation of the carboxy group of trans-urocanic acid; major species at pH 7.3.


Conjugate base of 2-cyanocinnamic acid.


all-trans-dodecaprenyl diphosphate(3-)

An all-trans-polyprenyl diphosphate(3-) arising from deprotonation of the diphosphate OH groups of all-trans-dodecaprenyl diphosphate; major species at pH 7.3.


cholanic acid anion

Any steroid acid anion based on a cholanic acid skeleton.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxycerotoyl-CoA; major species at pH 7.3.


2-hydroxypentacosanoic acid

A 2-hydroxy fatty acid that is pentacosanoic acid substituted by a hydroxy group at position 2.


A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-sn-glycero-3-phosphate.


Major species at pH 7.3.


A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxyoctacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A phenolate anion that is the conjugate base of 4-O-methylxanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Dianion of 10-formyltetrahydrofolic acid arising from deprotonation of both carboxylic acid functions.


A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3.


oroxylin A(1-)

A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of oroxylin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A peptide anion obtained by deprotonation of the three carboxy groups of N-acetyl-Asp-Glu; major species at pH 7.3.


1-phosphatidyl-1D-myo-inositol(1-) in which the 2-acyl group is specified as (5Z,8Z,11Z,14Z,17Z)-eicosapentaenoyl.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 3-oxo-(11Z)-eicosa-11-enoyl-CoA.


biliverdin delta(1-)

A linear tetrapyrrole anion obtained by deprotonation of the two carboxy groups and protonation of the imine nitrogen of biliverdin delta; It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


leukotriene F4(2-)

A leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of leukotriene F4; major species at pH 7.3.


A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of any 5alpha-pregnane-3beta,20alpha-diol monosulfate.


androsterone sulfate(1-)

A steroid sulfate oxoanion that is the conjugate base of androsterone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


A penicilloate anion arising from deprotonation of both carboxy groups of a penicilloic acid.


A monocarboxylic acid anion that is conjugate base of ascr#16 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


phosphatidylinositol 25:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 25 carbons and are fully saturated.


A hydroxy monocarboxylic acid anion that is the conjugate base of [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


Product of the enzymatic hydroxylation of 4a of 7-chlorotetracycline (chebi:133598). Depicted in fig. 4 of the reference


monacolin J carboxylate

A hydroxy monocarboxylic acid anion that is the conjugate base of monacolin J acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate; major species at pH 7.3.


name: short-chain (R)-3-hydroxy fatty acyl-CoA(4-)

description: An (R)-3-hydroxyacyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups of any short-chain (3R)-hydroxy fatty acyl-CoA; major species at pH 7.3.


A nucleoside 5'-diphosphate(3-) arising from deprotonation of the diphosphate OH groups of uridine 5'-diphosphate (UDP); major species at pH 7.3.


A phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid.


An octadecadienoyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (5Z,11E)-octadecadienoyl-CoA; major species at pH 7.3.


cardiolipin 72:8(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 8 double bonds.


Conjugate base of muramyl dipeptide. Major species at pH 7.3.


An N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexanoyl-(2S)-hydroxyglycine. The major species at pH 7.3.


An S-substituted N-acetyl-L-cysteinate that is the conjugate base of N-acetyl-S-phenyl-L-cysteine resulting from the deprotonation of the carboxy group; major species at pH 7.3.


Dicarboxylate anion of 2-(acetamidomethylidene)succinic acid; major species at pH 7.3.


A C4-dicarboxylate obtained by deprotonation of both carboxy groups of 3-hydroxy-L-aspartic acid.


A 1-acyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-heptadecanoyl-sn-glycero-3-phosphate.


17-oxoresolvin D1(1-)

A polyunsaturated fatty acid that is the conjugate base of 17-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


fatty acid anion 23:0

Any saturated fatty acid anion containing 23 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-malonyl-ADP-D-ribose; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 5alpha-dihydrotestosterone 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


An organophosphate oxoanion obtained by global deprotonation of the phosphate and diphosphate functions of 4-O-({poly[1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate


The tetraanion of CoM-S-S-CoB.


A 2-hydroxyglutarate(2-) that has (2R)-configuration.


carboxylic acid anion

The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated.


Major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any 6-(N-acetyl-alpha-D-glucosaminyl-1-phospho)-alpha-D-mannoside; major species at pH 7.3.


Conjugate base of (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one.


Dicarboxylate anion of 2-isopropylmaleic acid; major species at pH 7.3.


Trianion of 3-phosphoglyceric acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3.


cardiolipin 74:7(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 74 carbons and 7 double bonds.


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of N(alpha)-citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine.


Dicarboxylate anion of 3-(1-carboxyvinyloxy)anthranilic acid.


betamethasone phosphate(2-)

A steroid phosphate oxoanion which is the dianion obtained by the deprotonation of the phosphate OH groups of betamethasone phosphate.


A dihexosylceramide sulfate(1-) obtained by deprotonation of the sulfate group of beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; major species at pH 7.3.


cardiolipin 52:2(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 52 carbons and 2 double bonds.


Ins-1-P-Cer-A 44:0(1-)

An Ins-1-P-Cer A(1-) in which the acyl group and the ceramide base contain a total of 44 carbons and 0 double bonds. Major species at pH 7.3.


A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8Z,11S,12S,14Z)-11,12-dihydroxyicosatrienoic acid; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of lithocholic acid 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.


An alpha-amino-acid anion resulting from the deprotonation of the carboxy group of 1-aminocyclopropanecarboxylic acid.


Conjugate base of flaviolin.


docosahexaenoate

A polyunsaturated fatty acid anion that is the conjugate base of docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


adenosine 2'-phosphate(2-)

An organophosphate oxoanion obtained by removal of two protons from the phosphate group of adenosine 2'-phosphate; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of (R)-3,4-dihydroxy-2-oxobutanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


D-fructofuranose 1,6-bisphosphate(4-)

An organophosphate oxoanion obtained by removal of all four protons from the phosphate OH groups of D-fructofuranose 1,6-bisphosphate.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of [alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate; major species at pH 7.3.


N(tele)-methyl-trans-urocanate

A urocanate derivative obtained by deprotonation of the carboxy group of   N(tele)-methyl-trans-urocanic acid; major species at pH 7.3.


diisopropyl phosphate(1-)

The conjugate base of diisopropyl hydrogen phosphate; major species at pH 7.3.


A 2'-deoxyribonucleoside triphosphate oxoanion that is the trianion of 2'-deoxy-2-hydroxyadenosine 5'-triphosphate, arising from deprotonation of three of the four triphosphate OH groups; major species at pH 7.3.


A hydroxybenzoate that is the conjugate base of mesalamine, arising from deprotonation of the carboxy group.


A quinolinate(1-) that is the tautomer of 3-carboxypyridine-2-carboxylate.


trihydroxyicosatrienoate

An icosanoid anion obtained by the deprotonation of the carboxy group of any trihydroxyicosatrienoic acid.


The conjugate base of 3',4',5'-O-trimethyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.


Dianion of O-phospho-L-threonine.


epoxydocosapentaenoate

A docosanoid anion arising from deprotonation of the carboxylic acid function of any epoxydocosapentaenoic acid.


A UDP-N-acetyl-D-galactosamine(2-) in which the anomeric centre of the galactosamine moiety has alpha-configuration; major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of 10(R)-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of 3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid; major species at pH 7.3.


nonanoate

A medium-chain fatty acid anion that is the conjugate base of nonanoic acid that in methyl ester form has significant nematicidal activity.


hexacosenoate

An unsaturated fatty acid anion that is the conjugate base of hexacosenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Dicarboxylate anion of (S)-2-acetamido-6-oxopimelic acid; major species at pH 7.3.


(1R,2R,3R)-prephytoene diphosphate(3-)

Trianin of (1R,2R,3R)-prephytoene diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxy-3-methylpentanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoyl-2-icosanoyl-sn-glycero-3-phosphate.


glycerate

A hydroxy monocarboxylic acid anion that is the conjugate base of glyceric acid, obtained by deprotonation of the carboxy group.


chondroitin 4'-sulfate anion

The organosulfate oxoanion that is the conjugate base of chondroitin 4'-sulfate.


A nucleotide-sugar oxoanion that is the conjugate base of CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid; major species at pH 7.3.


An acyl-CoA(4-) that is the tetraanion of An acyl-CoA(4-) that is the tetraanion of 3-methylbut-2-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any 6-phospho-alpha-D-mannoside; major species at pH 7.3.


A short-chain (3R)-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R)-hydroxypentanoyl-CoA; major species at pH 7.3.


A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 10 prenyl units; major species at pH 7.3.


julichrome Q6-6(1-)

A phenolate anion resulting from the deprotonation of the hydroxy group on the middle ring of one of the two dihydroanthracene groups of julichrome Q6-6. The major species at pH 7.3.


The conjugate base of S-carboxymethyl-L-cysteine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#36-CoA; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 9-(octadecanoyloxy)octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 3-hydroxy-3-phenylpropionic acid.


An omega-hydroxy fatty acid anion that is the conjugate base of 3,12-dihydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An unsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any hydroxyoctadecadienoic acid.


A 2-hydroxy fatty acid anion with a chain that is composed of 26 carbons and 1 double bond (position unspecified).


Conjugate base of 2,5-didehydro-D-gluconic acid.


A trihydroxyicosatrienoate that is the conjugate base of 13,14,15-trihydroxy-(5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


isoheptadecanoate

A methyl-branched fatty acid anion that is the conjugate base of isoheptadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroid acid anion that is the conjugate base of 3beta-hydroxy-5alpha-cholest-8-ene-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


5-phospho-D-xylonate (3-)

A 4-hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of 5-phospho-D-xylonic acid. Major microspecies at pH 7.3.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-di-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphate


A mannosylinositol phosphorylceramide(1-) having a hexacosanoyl group amide-linked to a C18 sphinganine base, with hydroxylation at C-2 of the C26 very-long-chain fatty acid.


kaempferol 3-O-beta-D-xyloside(1-)

An organic anion obtained by selective deprotonation of the 7-hydroxy group of kaempferol 3-O-beta-D-xyloside; major species at pH 7.3.


enol-oxaloacetate

A C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of enol-oxaloacetic acid.


A docosanoid anion that is the conjugate base of (7R,14S)-dihydroxy-(4Z,8E,10E,12Z,16Z,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Tetraanion of cyclohex-1,4-dienecarboxyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.


Tetraanion of formyl-CoA arising from deprotonation of phosphate and diphosphate functions.


A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phospho-D-myo-inositol; major species at pH 7.3.


An (omega-1)-hydroxy fatty acid anion that is the conjugate base of 9,10-epoxy-17-hydroxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


A pyrrolecarboxylate that is the conjugate base of 5-hydroxypyrrole-2-carboxylic acid.


2'-deoxyadenosine 5'-monophosphate(2-)

A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyadenosine 5'-monophosphate (dAMP).


A dicarboxylic acid monoanion that is the conjugate base of oxalic acid.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxopalmitoyl-CoA.


N-docosanoylglycinate

An N-acylglycinate that is the conjugate base of N-docosanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion arising from global deprotonation of the pentaphosphate OH groups of P(1),P(5)-bis(5'-adenosyl) pentaphosphate.


isopentenyl diphosphate(3-)

An organophosphate oxoanion that is the trianion of isopentenyl diphosphate arising from deprotonation of the three OH groups of the diphosphate.


lysophosphatidylserine 16:0(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 16 carbons and 0 double bonds.


The conjugate base of gamma-amino-beta-hydroxybutyric acid arising from deprotonation of the carboxy group.


A tricarboxylic acid anion resulting from the deprotonation of the three carboxy groups of bongkrekic acid; major species at pH 7.3.


cumate

A member of the class of benzoates obtained by the deprotonation of the carboxy group of cumic acid.


A cephalosporin carboxylic acid anion formed by proton loss from the carboxy group of ceftazidime, a cephalosporin having 7beta-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino and 3-pyridinium-1-ylmethyl side-groups.


An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3.


A triply-charged monocarboxylic acid anion obtained by deprotonation of the carboxy and phospho groups of 3-phosphonopyruvic acid.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (4Z)-2-oxohept-4-enedioic acid; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of feruloylacetyl-CoA; major species at pH 7.3.


Ins-1-P-Cer D 44:0(1-)

An Ins-1-P-Cer D(1-) in which the acyl group and the ceramide base contain a total of 44 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and one other unspecified position, and the ceramide base hydroxylated at position 4.


name: lipid A 4'-(2-aminoethyl diphosphate)(3-)

description: A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid A 4'-(2-aminoethyl diphosphate); major species at pH 7.3.


A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-alpha-D-manno-octulosonic acid.


An anionic C3 cyanine-type compound having indoleinine and chromenylium substituents at either end.


pyridinemonocarboxylate

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of a pyridinemonocarboxylic acid. A 'closed class'.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of Ni(II)-pyridinium-3,5-bisthiocarboxylic acid mononucleotide; major species at pH 7.3.


cardiolipin 80:15(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 80 carbons and 15 double bonds.


3-acetylchlorophyllide a(2-)

A cyclic tetrapyrrole anion that is obtained from 3-acetylchlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of trans-2-pentadecenoyl-CoA; major species at pH 7.3.


Trianion of N(5)-formyl-5,6,7,8-tetrahydromethanopterin arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate and carboxy groups and protonation of the amino group of any 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoserine.


A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of galactosyl-glucosyl-heptosyl-(phosphoheptosyl)2-(KDO)2-lipid A


docosenoate

A monounsaturated fatty acid anion that is the conjugate base of docosenoic acid, formed by deprotonation of the carboxylic acid group. Major species at pH 7.3.


phosphatidylinositol 44:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 44 carbons in total and 1 double bond.


An inositol phosphomannosylinositol phosphophytoceramide(2-) having an inositol 1-phosphoryl group attached to the mannose residue (at the 6-position) and a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the C18 sphingoid base, and hydroxylation at C-2 and C-3 of the C26 very-long-chain fatty acid. Major species at pH 7.3.


vitexin 2''-O-beta-D-glucoside(1-)

Conjugate base of vitexin 2''-O-beta-D-glucoside arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.


validone 7-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of validone 7-phosphate; major species at pH 7.3.


An inositol phosphophytoceramide(1-) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid.


Dianion of 4-CDP-2-C-methyl-D-erythritol arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


An alpha-amino-acid anion that is the conjugate base of 4-methyl-L-glutamic acid, having anionic carboxy groups and a cationic amino group. Major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of (3S,6R)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of N(3)-oxalyl-L-2,3-diaminopropionic acid having anionic carboxy groups and a protonated primary amino group; major species at pH 7.3.


2,3-dihydroxybenzoyl 5'-adenylate(1-)

Conjugate base of 2,3-dihydroxybenzoyl 5'-adenylate.


An organic anion that is the 7-oxoanion of 2-hydroxy-2,3-dihydrogenistein.


alpha-D-glucose 1-phosphate(2-)

An organophosphate oxoanion that is the dianion of alpha-D-glucose 1-phosphate, obtained by deprotonation of the phosphate OH groups.


penicillin N(1-)

Conjugate base of penicillin N.


An organophosphate oxoanion that is a dianionic form of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


The 2-O-sulfonato-2'-O-hexadecanoyl derivative of alpha,alpha-trehalose.


chlorimuron

An N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a (2-carboxyphenyl)sulfonyl group, while the other has been substituted by a 4-chloro-6-methoxypyrimidin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding ethyl ester) as a herbicide.


A CDP-diacylglycerol(2-) obtained by deprotonation of the diphosphate OH groups of CDP-1-stearoyl-2-oleoyl-sn-glycerol; major species at pH 7.3.


cardiolipin 76:13(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 76 carbons and 13 double bonds.


A ribonucleoside triphosphate oxoanion obtained by deprotonation of the four triphosphate OH groups of N(6)-(dimethylallyl)adenosine 5'-triphosphate.


protoviolaceinate

A monocarboxylic acid anion that is the conjugate base of protoviolaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.


A tricarboxylic acid trianion resulting from the deprotonation of all three carboxy groups of(2Z)-4-oxobut-2-ene-1,2,4-tricarboxylate, The major species at pH 7.3.


Anionic form of a sulfated menaquinone-type compound arising from deprotonation of the sulfate OH; a metabolite from Mycobacterium tuberculosis lipid extracts.


L-ribulose 5-phosphate(2-)

A doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of L-ribulose 5-phosphate; major species at pH 7.3.


A steroid sulfate oxoanion that is the conjugate base of 2-hydroxy-17beta-estradiol 3-sulfate, obtained by deprotonation of the sulfo group.


alpha-mycolate type-3 (V')

The conjugate base of alpha-mycolic acid type-3 (V'). A class of mycolic acids characterized by the presence of a proximal cis-cyclopropyl group followed by a cis C=C double bond and another distal cis-cyclopropyl group in the meromycolic chain.


Hexaanion of precorrin-6Y.


methoxymycolate type-3 (IX'')

The conjugate base of methoxymycolic acid type-3 (IX''). A class of mycolic acids characterized by the presence of a proximal cis- cyclopropyl group followed by a cis C=C double bond and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.


orotidine 5'-phosphate(3-)

Trianion of orotidine 5'-phosphate arising from deprotonation of carboxylic acid and phosphate functions.


Major microspecies at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 9-[(9Z),(12Z)-octadecadienoyloxy]-octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxybehenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one.


cholestanoic acid anion

Any steroid acid anion based on a cholestane skeleton.


A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of ADP-alpha-D-ribose 1'',2''-cyclic phosphate; major species at pH 7.3.


An (omega-1)-hydroxy-long-chain fatty acid anion that is the conjugate base of (9Z,12Z)-17-hydroxyoctadeca-9,12-dienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


ketomycolate type-3 (XIII)

The conjugate base of ketomycolic acid type-3 (XIII). A class of mycolic acids characterized by the presence of a proximal cis C=C double bond and a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.


A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of glucosyl-heptosyl-4-phosphoheptosyl-(KDO)2-lipid A


An organic nitrogen anion obtained by deprotonation of the sulfonamide nitrogen of dasabuvir.


An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 2-oxoglutaric acid.


Tricarboxylate anion of 2-carboxylato-cis,cis-muconic acid; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#35, obtained by deprotonation of the carboxy group; major species at pH 7.3.


(E,E)-feruperate

Major species at pH 7.3


An organophosphate oxoanion that is the conjugate base of 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate, arising from deprotonation of the phosphate OH.


A C4-dicarboxylate that is the Z-isomer of but-2-enedioate(2-)


An N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-hexadecanoyl-(2S)-hydroxyglycine. The major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-4-amino-4,6-dideoxy-N-acetyl-alpha-D-glucosamine.


soppiline A(1-)

A hydroxy monocarboxylic acid anion that is the conjugate base of soppiline A, arising from the deprotonation of the carboxy group. Major species at pH 7.3.


Tetraanion of 4-hydroxybenzoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


A carbohydrate acid derivative anion that is the conjugate base of trans-3-hydroxycotinine beta-D-glucuronide, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An Ins-1-P-6-Man-1-6-Ins-1-P-Cer A(2-) in which the acyl group and the ceramide base contain a total of 44 carbons and 0 double bonds, and in which the acyl group is not hydroxylated at position 2 and the ceramide base is not hydroxylated at position 4.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) obtained by deprotonation of the sulfo group of N-docosanoyl-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.


A 9,10-epoxyoctadecanoate that is the conjugate base of (9S,10R)-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


Tetraanion of 3-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups; major species at pH 7.3.


chloroacetate

A haloacetate(1-) resulting from the deprotonation of the carboxy group of chloroacetic acid.


A 3-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyoctanoyl-CoA; major species at pH 7.3.


A doubly-charged tricarboxylic acid anion arising from deprotonation of the carboxy groups and protonation of the amino group of 3-epi-3-hydroxymugineic acid.


Dicarboxylate anion of 2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid.


An acyl-CoA(-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxyisobutyryl-CoA; principal microspecies at pH 7.3.


The indol-3-yl carboxylic acid anion formed by loss of a proton from the carboxy group of (5-hydroxyindol-3-yl)acetic acid; principal microspecies at pH 7.3


2-deoxy-D-ribose 5-phosphate(2-)

Dianion of 2-deoxy-D-ribose 5-phosphate arising from deprotonation of the phosphate OH groups; major product at pH 7.3.


maltose 6'-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of maltose 6'-phosphate; major species at pH 7.3.


Dianion of N,N'-diacetylchitobiosyldiphosphodolichol.


A monocarboxylic acid anion obtained by deprotonation of the carboxy group of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-D-GlcpNAc; major species at pH 7.3.


An organophosphate oxoanion that is the trianion of ditrans,polycis-dodecaprenyl diphosphate arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


D-methioninate

The D-enantiomer of methioninate.


amino fatty acid anion

A nitrogen-containing fatty acid anion arising from deprotonation of the carboxy group of any amino fatty acid.


Dianion of 2-(alpha-D-galactosyl)-sn-glycerol 3-phosphate; major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of (17Z,20Z,23Z,26Z)-dotriacontatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


dolichyl beta-D-glucosyl phosphate(1-)

Conjugate base of dolichyl beta-D-glucosyl phosphate arising from deprotonation of the free OH group of the phosphate.


beta-D-glucosyl crocetin(1-)

A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of beta-D-glucosyl crocetin. The major species at pH 7.3.


pentacosenoate

A monounsaturated fatty acid anion with a chain that is composed of 25 carbons and 1 double bond (position unspecified).


serinate

An alpha-amino-acid anion that is the conjugate base of serine.


18-hydroxyleukotriene B4(1-)

A leukotriene anion that is the conjugate base of 18-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion that is the trianion of (2E)-4-hydroxy-3-methylbut-2-enyl diphosphate arising from deprotonation of the three OH groups of the diphosphate.


A phenolate anion obtained by deprotonation of one of the phenolic hydroxy groups of any 2-acyl-4,6-diprenylphloroglucinol.


A steroid sulfate oxoanion obtained by deprotonation of at least one of the sulfo groups of 5alpha-androstan-3beta,17alpha-diol disulfate.


A C82 alpha-mycolate having a C56 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


Spontaneous hydrolysis product of CHEBI:143143


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#25-CoA; major species at pH 7.3.


A thiolate anion resulting from the removal of a proton from one of the nitrogens of thiopental and tautomerisation.


The anion formed from 6-methyl-7-oxo-8-(1-D-ribityl)lumazine by removal of a proton from the nitrogen at position 3 (i.e. between the oxo groups). It is the major species at physiological pH.


An oxodocosahexaenoate that is the conjugate base of (4Z,8E,10Z,13Z,16Z,19Z)-7-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 38:2(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 38 carbons in total and 2 double bonds.


(-)-ureidoglycolate

Conjugate base of (-)-ureidoglycolic acid.


The conjugate base of 2-iminio-3-(7-chloroindol-3-yl)propionate arising from deprotonation of the iminio function.


A citrate(1-) that is the conjugate acid of 2-(carboxymethyl)-2-hydroxysuccinate.


An anionic phospholipid that is glycero-3-phosphoinositol(1-) bearing a single alkyl substituent at an unspecified position.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#3-CoA; major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of CDP-glycerol; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 4-acetamidobutanoic acid, arising from deprotonation of the carboxy group.


A steroid glucuronide anion that is the conjugate base of 5alpha-androstane-3beta,17beta-diol 17-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


A 2'-deoxyribonucleoside 5'-triphosphate(4-) resulting from deprotonation of the triphosphate OH groups of 2'-deoxyuridine-5'-triphosphate (dUTP); major species at pH 7.3.


An organosulfate oxoanion obtained by deprotonation of the sulfate group of any 1-(3-O-sulfo-beta-D-galactosyl)-ceramide; major species at pH 7.3.


The alpha-amino-acid anion formed by proton loss from the carboxy group of 5-hydroxylysine.


A bile acid anion that is the conjugate base of 12alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A peptide anion obtained by deprotonation of the four carboxy groups of Ac-Asp-Glu-Glu; major species at pH 7.3.


leachianone G(1-)

Conjugate base of leachianone G arising from deprotonation of the 7-hydroxy group.


Tetraanion of UDP-N-acetylmuramoyl-L-alanyl-D-glutamic acid arising from deprotonation of the diphosphate and glutamate carboxy groups; major species at pH 7.3.


A (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate obtained by deprotonation of the carboxy group of (R)-(2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3.


thyroxine sulfate(1-)

Conjugate base of thyroxine sulfate having anionic carboxy and sulfate groups and the amino group protonated.


A saturated fatty acyl-CoA(4-) that is palmitoyl-CoA in which the phosphate and diphosphate groups have been deprotonated to give the corresponding tetra-anion.


The conjugate base of (S)-3-(imidazol-5-yl)lactic acid; major species at pH 7.3.


trans-parinarate

A straight-chain, unsaturated fatty acid anion that is the conjugate base of trans-parinaric acid, arising from deprotonation of the carboxylic acid group.


A saturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of docosanoyl-CoA (behenoyl-CoA); major species at pH 7.3.


A 16-HETE(1-) that is the conjugate base of 16(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(R)-HODE; major species at pH 7.3.


Trianion of GTP arising from deprotonation of three of the four phosphate OH groups.


saturated dicarboxylic acid dianion(2-)

A carboxylic acid dianion obtained by deprotonation of both carboxy groups of any dicarboxylic acid that contains no carbon-carbon double bonds.


2-methylpropanoyl phosphate(2-)

Dianion of 2-methylpropanoyl phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


Heptaanion of precorrin-3A.


lanostanoic acid anion

Any steroid acid anion based on a lanostane skeleton.


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12R)-12-hydroxyoctadec-9-enoyl-CoA; major species at pH 7.3.


tetrazolide

An organic anion with formula CHN4 resulting from the removal of a proton from 1H, 2H, or 5H-tetrazole.


An organic anion that is the conjugate base of 4,7-dihydroxy-5-methylcoumarin, obtained by deprotonation of the 4-hydroxy group. It is the major microspecies at pH 7.3.


A phosphatidylinositol anion where the inositol is either not phosphorylated or phosphorylated at position 4 and/or position 5; major species at pH 7.3.


salicylurate

A monocarboxylic acid anion that is the conjugate base of salicyluric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,10Z,13Z,16Z,19Z,22Z,25Z)-octacosaheptaenoyl-CoA; major species at pH 7.3.


medium-chain fatty acyl-AMP(1-)

A fatty acyl-AMP anion obtained by deprotonation of the phosphate OH group of any medium-chain fatty acyl-AMP; major species at pH 7.3.


A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of germacra-1(10),4,11(13)-trien-12-oic acid.


A cardiolipin 72:7(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin; major species at pH 7.3.


An anionic ganglioside in which the oligosaccharide portion is composed of a trisaccharide, to which two sialic acid residues are attached.