An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GQ1b (d18:1/C18:0); major species at pH 7.3.


An organic anion that is the conjugate base of 3-amino-4,7-dihydroxycoumarin, obtained by selective deprotonation of the 7-hydroxy group


Dianion of tetrachlorohydroquinone arising from deprotonation of both phenol groups; major species at pH 7.3.


protectin D1(1-)

A dihydroxydocosahexaenoate that is the conjugate base of protectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


coenzyme F420-1(4-)

The tetraanion of coenzyme F420-1 arising from deprotonation of the carboxylic acid and phosphate functions as well as the 3-position on the pyrimidinoquinoline ring system; major species at pH 7.3.


LASALOCID A SODIUM

The sodium salt of lasalocid. It is a veterinary ionophore antibiotic used for prevention and treatment of coccidiosis in poultry.


3-methoxycatechol monosulfate(1-)

A phenyl sulfate oxoanion obtained by deprotonation of the sulfo group of any 3-methoxycatechol monosulfate.


methanesulfinate

An organosulfinate oxoanion resulting from the deprotonation of the sulfinic acid moiety of methanesulfinic acid.


Published in DOI:10.1104/pp.116.1.369


A polyunsaturated fatty acid anion that is the conjugate base of (11Z,14Z,17Z)-icosatrienoic 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 OH groups of heptadecanoyl-CoA.


nicotine blue(2-)

An organic anion obtained by selective deprotonation of the hydroxy groups at positions 2 and 2' of nicotine blue; major species at pH 7.3 (according to Marvin v 6.2.0.).


palmitoleate

A hexadec-9-enoate that is the conjugate base of palmitoleic acid; major species at pH 7.3.


hydroxybenzoate

Any benzoate derivative carrying a single carboxylate group and at least one hydroxy substituent.


A peptide anion that is the conjugate base of N(alpha)-(L-gamma-glutamyl)-hercynyl-L-cysteine sulfoxide and major species at pH 7.3.


A modified GTP nucleotide lacks a hydroxyl group at the 3' carbon of the ribose moiety; major microspecies at pH 7.3


Ins-1-P-Cer C 40:0(1-)

An Ins-1-P-Cer-C(1-) in which the acyl group and the ceramide base contain a total of 40 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and the ceramide base hydroxylated at position 4.


sodium stibogluconate

A D-gluconate adduct of indefinite composition containing between 30 and 34% of antimony(V), calculated with reference to dried and methanol-free substance. It is used as a treatment for leishmaniasis.


The anion resulting from the removal of a proton from the carboxylic acid group of cefpiramide.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 4-tert-butyl-2-{-3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-7-[ethyl(3-sulfopropyl)amino]chromenium.


prolinate

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


oxo dicarboxylic acid dianion

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


A polyunsaturated fatty acid anion that is the conjugate base of (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate and 3-imido groups of 8-formyl-8-demethylriboflavin 5'-phosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


name: cis-heme d hydroxychlorin gamma-spirolactone(1-)

description: A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of cis-heme d hydroxychlorin gamma-spirolactone.


A thia fatty acid anion that is the conjugate base of 3-(methylthio)propionic acid.


o-toluate

A toluate that is the conjugate base of o-toluic acid.


A pyridoxate that is the conjugate base of 5-pyridoxic acid, obtained by deprotonation of the carboxy group.


farnesyl triphosphate(3-)

An organophosphate oxoanion arising from deprotonation of three of the four free triphosphate OH groups of farnesyl triphosphate; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,13Z,16Z)-19,20-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


(-)-kolavenyl diphosphate(3-)

An organophosphate oxoanion obtained by deprotonation of diphosphate OH groups of (-)-kolavenyl diphosphate; major species at pH 7.3.


Conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function.


Dicarboxylate anion of 2-O-sinapoyl-D-glucaric acid.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphate; major species at pH 7.3.


Dicarboxylate anion of mesobiliverdin; major species at pH 7.3.


A tetracarboxylic acid anion formed by deprotonation of three of the four carboxy groups in ethylenediaminetetraacetic acid (EDTA).


A steroid glucuronide anion that is the conjugate base of 16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


abscisates

A monocarboxylic acid anion obtained by removal of a proton from the carboxy group of any member of the class of abscisic acids.


A phosphatidylserine 38:5 that is the conjugate base of 1-oleoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of GDP-N,N'-diacetylbacillosamine; major species at pH 7.3.


An organic anion that is the conjugate base of 2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin. The major species at pH 7.3.


A phosphatidate(2-) obtained by deprotonation of both phosphate OH groups of didecanoylphosphatidic acid; major species at pH 7.3.


lysophosphatidate 18:1

A monoacyl-sn-glycerol 3-phosphate in which the acyl group is specified as octadecenoyl and is attached at either sn-1 or sn-2 position; major species at pH 7.3.


phosphatidylinositol 28:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 28 carbons in total and 0 double bonds.


Anion of 1D-myo-inositol 1,2-cyclic phosphate.


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


20-hydroxyprostaglandin E1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 20-hydroxyprostaglandin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The organophosphate oxoanion that at pH 7.3 is the major microspecies formed from undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)-L-lysyl-D-alanyl-D-alanine, formed by loss of two protons from the diphospho group.


L-aspartate 4-semialdehyde

An alpha-amino-acid anion that is the conjugate base of L-aspartic 4-semialdehyde, arising from deprotonation of the carboxy group.


An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-phosphatidyl-1D-myo-inositol-4-phosphate; major species at pH 7.3.


cardiolipin 74:12(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 74 carbons and 12 double bonds.


gellan gum

A polysaccharide acid oxoanion produced by bacteria, which is used as a substitute for agar as gelling agent in various clinical bacteriological media.


dermatan 6'-sulfate anion

Anionic form of dermatan 6'-sulfate arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units; major species at pH 7.3.


A tricarboxylic acid trianion obtained by deprotonation of the carboxy groups of 1,1,1-propanetricarboxylic acid.


A phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


name: branched-chain saturated fatty acid anion

description: Any saturated fatty acid anion with a carbon side-chain or isopropyl termination.


A acyl-CoA oxoanion that is the pentaanion of (3S)-3-carboxy-3-hydroxypropanoyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxy functions.


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


octadecanedioic acid anion

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


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,12Z,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontahexaenoyl-CoA; major species at pH 7.3.


pantothenate

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


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA; major species at pH 7.3.


(R)-lipoate

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


gibberellin A3(1-)

A gibberellin carboxylic acid anion obtained by deprotonation of the carboxy group of gibberellin A3.


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


lysophosphatidylserine 26:2(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 26 carbons and 2 double bonds.


name: hydroxy polyunsaturated fatty acid anion

description: Any polyunsaturated fatty acid anion carrying one or more hydroxy substituents.


guanidinoacetate

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


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy groups of 2-hydroxy-3-carboxy-6-oxo-7-methylocta-2,4-dienoic acid; major species at pH 7.3.


The anion resulting from the removal of a proton from the carboxylic acid group of 5-dehydro-4-deoxy-D-glucuronic acid.


pimelate

A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of pimelic acid.


2-Oxohex-3-enedioate in which the C=C double bond has E configuration; principal microspecies at pH 7.3.


long-chain fatty acyl-CoA(4-)

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


keto mycolate

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


An organosulfonate oxoanion obtained by deprotonation of both sulfonyl groups of bromosulfophthalein.


A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.


name: heparan sulfate N-acetyl-alpha-D-glucosaminide polyanion

description: A carbohydrate acid derivative anion arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units of heparan sulfate N-acetyl-alpha-D-glucosaminide; major species at pH 7.3.


penilactone D(2-)

Major microspecies at pH 7.3


A 1-acyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the acyl group is specified as hexadecanoyl (palmitoyl); major species at pH 7.3.


A HODE(1-) that is the conjugate base of (9Z,12Z)-11-hydroxyoctadecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Luxol fast blue MBS(2-)

An organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of a copper phthalocyanine-disulfonic acid.


The dicarboxylate anion of protoporphyrin, obtained by deprotonation of both carboxy groups.


N-(fatty acyl)-L-leucine(1-)

an N-acyl-L-leucine where the fatty acyl chain is not specified, major species at pH 7.3.


Major species at pH 7.3


A triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of N,N,N-trimethylglycyl-CoA; major species at pH 7.3.


A steroid sulfate oxoanion obtained by deprotonation of both sulfo groups of 5alpha-androstan-3alpha,17beta-diol disulfate


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (2R)-trihomocitric acid; major species at pH 7.3.


An organophosphonate oxoanion obtained by deprotonation of the carboxy and phosphonate groups as well as protonation of the amino group of (1R,2S)-1-(S-L-cysteinyl)-2-hydroxypropylphosphonate; major species at pH 7.3.


An oxo-ETE anion that is the conjugate base of 9-oxo-ETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 2,4-diaminopentanoate that is the conjugate base of (2R,4S)-2,4-diaminopentanoic acid.


A hexadecenoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (E)-hexadec-2-enoyl-CoA; major species at pH 7.3.


phosphatidylserine 36:1(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 1 double bond.


oxidized icosatrienoyl-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 eicosatrienoic acid; major species at pH 7.3.


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


A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of UTP; major species present at pH 7.3.


prostaglandin D3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D3, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Se-methylselenocysteinate

An alpha-amino acid anion having methylselanylmethyl as the side-chain.


10,11-dihydroleukotriene B4(1-)

An icosanoid anion that is the conjugate base of 10,11-dihydroleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


molybdopterin guanine dinucleotide(3-)

An organophosphate oxoanion that is molybdopterin guanine dinucleotide protonated to pH 7.3.


1-(methylthio)ribulose 5-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(methylthio)ribulose 5-phosphate; major species at pH 7.3.


A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of 2'-deoxyuridine 5'-diphosphate (dUDP).


lysophosphatidylserine 22:1(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 22 carbons and 1 double bond.


An anionic phospholipid obtained by deprotonation of the free phosphate OH groups of any inositol phosphomannosylinositol-1-phosphophytoceramide; major species at pH 7.3..


An L-alpha-amino acid anion that is the conjugate base of O(4')-sulfo-L-tyrosine; major species ar pH 7.3.


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


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


The conjugate base of tauro-alpha-muricholic acid obtained by deprotonation of the carboxylic acid function; major species at pH 7.3.


organic sulfur anion

An organic anion in which the charge resides on a sulfur atom.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxystearoyl-CoA.


A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate OH groups of any UDP-monosaccharide. This compound class represents generic and unspecified UDP-sugars.


cob(II)yrinic acid a,c diamide(4-)

A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cob(II)yrinic acid a,c diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A phenolate anion obtained by deprotonation of the 8-hydroxy group of hydroxyversicolorone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


alpha-amino-acid anion

An amino-acid anion obtained by deprotonation of any alpha-amino acid.


isotridecanoate

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


ultra-long-chain fatty acid anion

Any very long-chain fatty acid anion  with a chain length greater than C27.


A 2'-deoxyribonucleoside triphosphate oxoanion that is a trianion of 8-oxo-dGTP arising from partial deprotonation of the triphosphate OH groups.


icosatetraenoate

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


hyocholate

A bile acid anion that is the conjugate base of hyocholic acid, obtained bye deprotonation of the carboxy group; major species at pH 7.3.


cardiolipin 88:23(2-)

A cardiolipin(2-) in which the four phosphatidyl acyl groups contain a total of 88 carbons and 23 double bonds.


A 4-hydroxy-2-oxoheptanedioate obtained by deprotonation of both carboxy groups of (S)-4-hydroxy-2-oxoheptanedioic acid; major species at pH 7.3.


Conjugate base of (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid.


A 1-acyl-sn-glycero-3-phosphoglycero(1-) in which the 1-acyl substituent is specified as oleoyl; major species at pH 7.3.


An aza fatty acid anion and the conjugate base of 4-(methylamino)butyric acid.


A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of galactosyl-(glucosyl)3-(heptosyl)3-(KDO)2-lipid A-bisphosphate.


phosphatidylserine O-44:6(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 44 carbons and 6 double bonds.


isethionate

The alkanesulfonate that is the anion formed from isethionic acid by loss of a proton from the sulfo group; major microspecies at pH 7.3.


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


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


A quadruply-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (R)-NADPHX; major species at pH 7.3.


An inositol C20 phosphodihydroceramide(1-) in which the N-acyl group is specified as tricontanoyl; major species at pH 7.3.


An organosulfonate oxoanion that is the conjugate base of 6-deoxy-6-sulfo-D-fructofuranose, obtained by deprotonation of the sulfonate OH group; major species at pH 7.3.


A 2,3-trans-enoyl(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA; major species at pH 7.3.


A  flavonoid oxoanion that is the conjugate base of myricitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.


A 2'-deoxynucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxy-purine ribonucleoside 5'-monophosphate; major microspecies at pH 7.3.


D-galactopyranose 6-phosphate(2-)

A D-glucopyranose 6-phosphate(2-) resulting from deprotonation of the phosphate OH groups of D-galactopyranose 6-phosphate; major species at pH 7.3.


An inositol phosphophytoceramide(1-) having a hexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.


A cholanic acid anion that is the conjugate base of 3,7,12-trioxo-5beta-cholanic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An N-acyl-D-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-D-aspartic acid. Major microspecies at pH 7.3.


An organic anion that is the conjugate base of digoxigenin resulting from the deprotonation of the furanone moiety; major species at pH 7.3.


phosphatidylserine O-42:4(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 42 carbons and 4 double bonds.


indolmycenate

A (2S)-2-hydroxy monocarboxylic acid anion that is the conjugate base of indolmycenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


carbamate

Any ester of carbamic acid or its N-substituted derivatives.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-(2S,3S,6R)-3-hydroxy-5-imino-6-methyloxane; major species at pH 7.3.


An oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of (1S,2S,5R)-AH23848.


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at positio 7 of the flavonoid moiety of myricetin 3-O-[(6-O-acetyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside]. Identified in PMID: 23549747 Fig. S21 peak 4.


leucinate

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


A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphoserine, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.


An acyl-CoA oxoanion that is the pentaanion of (3S)-hydroxyhexadecanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.


phosphatidylserine 34:0(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 0 double bonds.


A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A mannosyl-alpha-1->6-inositol phosphorylceramide(1-) having an acyl group attached to the ceramide nitrogen and hydroxylation at C4 of the C18 sphingoid base; major species at pH 7.3.


A 1-alkyl-2-acyl-sn-glycero-3-phosphate(2-) in which the 1-alkyl substituent can be any alk-1-enyl group. Major species at pH 7.3.


A hydroperoxy fatty acid anion that is the conjugate base of 12(R)-HPETE, obtained by deprotonation of the carboxy group.


phosphatidylinositol P-36:2(1-)

1-(alk-1-enyl)-2-acyl-sn-glycero-3-1D-myo-inositol in which the alk-1-enyl and acyl groups at positions 1 and 2 contain 36 carbon atoms in total with 2 additional double bonds.


A organophosphate oxoanion obtained by deprotonation of the carboxy and one of the phosphate OH groups of carboxyphosphoric acid


A retinoid anion that is the conjugate base of 9-cis-4-oxoretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cobalt(II)-factor IV(6-)

A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt(II)-factor IV. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


The conjugate base of 12-hydroxylauric acid.


An amino fatty acid anion that is the  conjugate base of 5-aminopentanoic acid.


An organosulfate oxoanion that is the conjugate base of (3Z,6Z,9Z)-dodeca-3,6,9-trien-1-yl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.


A tautomer of urate(1-) in which the negative charge resides on N-1; principal microspecies at pH 7.3.


prostaglandin F2beta(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F2beta, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Tetranion of UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine having anionic diphosphate and carboxy groups and a cationic amino group.


A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 2-isopropylmalic acid.


A steroidal acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of 3-oxocholoyl-CoA; major species at pH 7.3.


20-hydroxyprostaglandin E2(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 20-hydroxyprostaglandin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N-acetyl-L-threoninate

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


phosphoethanolamine-Kdo2-lipid A(6-)

Hexaanion of phosphoethanolamine-Kdo2-lipid A having anionic carboxy and phosphate groups and a protonated primary amino group; major species at pH 7.3.


An anionic ganglioside that is the conjugate base of 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.


monounsaturated fatty acid anion

Any unsaturated fatty acid anion with one double or triple bond in the fatty acid chain.


phosphatidylinositol 32:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 32 carbons in total and 1 double bond.


Dianion of N-phosphotaurocyamine arising from deprotonation of phosphoramidate and sulfonate OH groups and protonation of the guanidino group; major species at pH 7.3.


polyprenyl D-glucosyl phosphate(1-)

An organophosphate oxoanion that is the conjugate base of polyprenyl D-glucosyl phosphate, obtained by deprotonation of the phosphate group; major structure at pH 7.3.


An acyl-CoA oxoanion that is the pentaanion of (S)-3-hydroxyoctanedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.


(2E,6E)-farnesyl monophosphate(2-)

An organophosphate oxoanion that is the dianion obtained by removal of the two protons from the monophosphate group of (2E,6E)-farnesyl monophosphate. Major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) obtained by deprotonation of the phosphate OH groups of 1,2-dilinoleoyl-sn-glycero-3-phospho-1D-myo-inositol 5-phosphate; major species at pH 7.3.


hydroxy fatty acid anion 26:0

Any hydroxy saturated fatty acid anion containing 26 carbons.


beta-L-galactose 1-phosphate(2-)

A L-galactose 1-phosphate(2-) in which the anomeric center has beta-configuration.


phosphatidylserine 42:4(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 42 carbons in total and 4 double bonds.


L-thyroxine sulfate(1-)

A thyroxine sulfate(1-) that has L-configuration. The major microspecies at pH 7.3.


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of 2,2',2''-[10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl]triacetic acid (HP-DO3A).


The conjugate base of (R)-2-hydroxy-4-(hydroxymethylphosphinyl)butyric acid


lysophosphatidylserine 22:0(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 20 carbons and 0 double bonds.


carnosinate

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


A monocarboxylic acid anion  that is the conjugate base of 2-imino-3-(indol-3-yl)propanoic acid, obtained by deprotonation of the carboxy group.


(2R)-2,6-dimethylheptyl sulfate

The (R)-enantiomer of 2,6-dimethylheptyl sulfate. It has been isolated from Daphnia pulex.


N-hydroxy-L-tryptophanate

Conjugate base of N-hydroxy-L-tryptophan.


An organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of (8S)-3',8-cyclo-7,8-dihydroguanosine 5'-triphosphate; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol(1-) which has a steroyl group as the acyl group at position 2.


Tricarboxylate anion of (2R)-homocitric acid.


An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol.


alanyl poly(glycerol phosphate)(1-)

The conjugate base of alanyl poly(glycerol phosphate); major species at pH 7.3.


The tricarboxylate anion of 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid; major species at pH 7.3.


A C4-dicarboxylate resulting from deprotonation of both carboxy groups of malic acid.


quinaldate

A quinolinemonocarboxylate that is the conjugate base of quinaldic acid; major species at pH 7.3.


tricarballylate

A tricarboxylic acid trianion resulting from the removal of a proton from each of the carboxy groups of tricarballylic acid.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3,5-dihydroxyphenylglyoxylic acid, obtained by deprotonation of the carboxy group.


Conjugate base of dTDP-4-amino-4,6-dideoxy-D-glucose having both the OH groups of the diphosphate deprotonated and a cationic amino group on the sugar ring.


fatty acid anion 8:0

Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


epoxy(hydroxy)icosatrienoate

An icosanoid anion obtained by the deprotonation of the carboxy group of any epoxy(hydroxy)icosatrienoic acid.


A nucleotide-sugar oxoanion that is the dianion of UDP-D-galactose.


N-glycoloyl-alpha-neuraminate

An N-glycoloylneuraminate that is conjugate base of N-glycoloyl-alpha-neuraminic acid arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


L-gamma-glutamyl phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups and protonation of the amino group of L-gamma-glutamyl phosphate; major species at pH 7.3.


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


phosphatidylserine O-42:1(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 42 carbons and 1 double bond.


An anionic ganglioside in which the oligosaccharide portion is composed of a disaccharide, to which one sialic acid residue is attached.


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


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA.


Conjugate base of 4-(phosphonooxy)-L-threonine.


ribonucleoside monophosphate oxoanion

An organophosphate oxoanion resulting from deprotonation of at least one of the acidic hydroxy groups from the phosphate moiety of a ribonucleoside monophosphate.


An N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as caproyl (hexanoyl) while the phosphatidyl acyl groups at position 1 and 2 are specified as palmitoyl (hexadecanoyl) and linoleoyl (9Z,12Z-octadecadienoyl) respectively; major species at pH 7.3.


A mnocarboxylic acid anion that is the conjugate base of 13-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 5,10-dihydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(5-O-phospho-beta-D-ribofuranosyl)phenol; major species at pH 7.3.


octadecenoate

A fatty acid anion containing 18 carbons and one double bond. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3.


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


fatty acid anion 26:0

Any saturated fatty acid anion containing 26 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


A member of the class of ribonates that is the  conjugate base of 2-deoxy-D-ribonic acid.


An alkylacylglycero-3-phosphoglycerol(1-) obtained by deprotonation of the phospho group of any 1-(alk-1-enyl)-2-acyl-glycero-3-phosphoglycerol; major species at pH 7.3.


Dianion of UDP-4-dehydro-6-deoxy-D-glucose; major species at pH 7.3.


An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of norsolorinic acid.


Dianion of dTDP-4-dehydro-6-deoxy-D-galactose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


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.


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.


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


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-).


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


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.


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.


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.


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.


An organophosphate oxoanion arising from deprotonation of the triphosphate OH groups of TNP-ATP.


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.


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.).


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.).


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 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.