A lipid IVA oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA; major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of 14-hydroxypalmitic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 1,2-diacyl-sn-glycerol 3-diphosphate(3-) arising from deprotonation of the diphosphate OH groups of 1,2-dioctanoyl-sn-glycerol 3-diphosphate.


A phenolate anion that is the conjugate base of 4-nitrocatechol arising from selective deprotonation of the hydroxy group at the position para to the nitro group; the major species at pH 7.3.


glycochenodeoxycholate

A N-acylglycinate that is the conjugate base of glycochenodeoxycholic acid.


docosadienoate

A fatty acid anion with 22 carbons and 2 double bonds. Major species at pH 7.3.


The (E)-isomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate.


The dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-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 hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#31, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An anionic ceramide phosphoinositol compound having a hexacosanoyl group attached to the ceramide nitrogen, no hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 of the very-long-chain fatty acid. Major species at pH 7.3.


A 1-(alk-1Z-enyl)-sn-glycero-3-phospho-(N-acyl)ethanolamine(1-) obtained by deprotonation of the phosphate OH group of 1-(1Z-octadecenyl)-sn-glycero-3-phospho-(N-oleoyl)ethanolamine; major species at pH 7.3.


3-ammonio-2-oxopropyl phosphate(1-)

Conjugate base of 3-amino-2-oxopropyl phosphate.


A 2-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 2-oxooctadecanoic acid (stearic acid). The major species at pH 7.3.


An inositol phosphophytoceramide(1-) having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.


Man-1-6-Ins-1-P-Cer B/B' 44:0(1-)

A Man-1-6-Ins-1-P-Cer B/B'(1-) 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.


Conjugate base of 4-oxoproline.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (4S)-4,16-dihydroxyretinoic acid.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-oxohept-4-ene-1,7-dioic acid; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 2-hydroxy-17beta-estradiol 2-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol.


A 2'-deoxyribonucleoside triphosphate oxoanion that is a trianion of 2'-deoxycytidine 5'-triphosphate, arising from deprotonation of three of the four triphosphate OH groups.


11,12-saturated fatty acyl-CoA(4-)

Any fatty acyl-CoA(4-) in which the 11-12 bond of the fatty acyl group is saturated. This is needed for a reaction together with CHEBI:84947


A peptide anion obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group of Gly-Asp; major species at pH 7.3.


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

Dianion of alpha-L-galactose 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


Fully deprotonated form of 5-diphospho-1D-myo-inositol pentakisphosphate.


dodecanoate

A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#31-CoA; major species at pH 7.3.


pyruvate

A 2-oxo monocarboxylic acid anion that is the conjugate base of pyruvic acid, arising from deprotonation of the carboxy group.


2',3'-cyclic nucleotide(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any 2',3'-cyclic nucleotide.


D-serinate

The D-enantiomer of serinate.


1D-myo-inositol 4,5-bisphosphate(4-)

An inositol phosphate oxoanion obtained by deprotonation of the phospho groups of 1D-myo-inositol 4,5-bisphosphate; major species at pH 7.3.


The dianion formed by removal of a proton from each of the carboxylic acid groups of cefotetan.


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


N,N-dihydroxy-L-phenylalaninate

Conjugate base of N,N-dihydroxy-L-phenylalanine.


cyclic hexaadenylate(6-)

Cyclic hexaadenylate; major species at pH 7.3.


An aryl sulfate oxoanion that is the conjugate base of 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


Major species at pH 7.3


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,18Z,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontahexaenoyl-CoA; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the free carboxy group of 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine; major species at pH 7.3.


Major microspecies at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid.


Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.


A 5-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of jasmonic acid. The major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of any 1-(alk-1-enyl)-glycero-3-phosphate. Major species at pH 7.3.


An organophosphate oxoanion that is the trianion of beta-D-GlcA-(1->2)-alpha-D-Man-(1->3)-beta-D-Glc-(1->4)-alpha-D-Glc-1-diphospho-ditrans,polycis-undecaprenol arising from deprotonation of both free diphosphate OH groups and the carboxy group of the glucuronic acid residue; major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA; major species at pH 7.3.


trioleoyl 2-monolysocardiolipin(2-)

A 2-monolysocardiolipin(2-) obtained by deprotonation of the phosphate OH groups of trioleoyl 2-monolysocardiolipin; major species at pH 7.3.


An organic anion that is the conjugate base of 6-linalyl-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.).


soyasapogenol B 3-O-beta-glucuronate

A monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol B 3-O-beta-glucuronide.


dialkyl phosphate(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any dialkyl phosphate; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 5-formyltetrahydrofolic acid.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-amino-3-hydroxy-4-methylbenzoyl-AMP; the major species at pH 7.3.


A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-O-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate; major species at pH 7.3.


cardiolipin 72:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 3 double bonds.


inositol phosphoceramide(1-)

An anionic phospholipid obtained by deprotonation of the free phosphate OH group of any inositol phosphoceramide; major species at pH 7.3.


An  peptide anion obtained by deprotonation of the carboxylic acid groups and protonation of the amino group of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid; major species at pH 7.3.


A dicarboxylic acid monoanion that is the conjugate base of O-suberoylcarnitine; major spoecies at pH 7.3.


The monocarboxylic acid anion formed by deprotonating cefuzonam at the carboxyl oxygen.


A steroid sulfate oxoanion that is the conjugate base of 16alpha-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3.


A phenolate anion obtained by deprotonation of one of the two phenolic hydroxy groups of xanthoaphin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Major species at pH 7.3.


azilsartan medoxomil(1-)

An organic anion obtained by deprotonation of the oxadiazolone ring of azilsartan medoxomil.


An organophosphate oxoanion derived from deprotonation of the phosphate group of any N-acylphosphatidylethanolamine.


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


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


An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of 2-hydroxyglutaryl-CoA. Major structure at pH 7.3 (Marvin 6.2.0)


cardiolipin 76:10(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 76 carbons and 10 double bonds.


The nucleotide-sugar oxoanion which is the dianion formed from dTDP-4-acetamido-4,6-dideoxy-D-galactose by deprotonation of the two phosphate OH groups.


lysophosphatidylserine 18:0(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 18 carbons and 0 double bonds.


A compound comprising a 2-(5-hydroxy-4-oxo-4H-chromen-3-yl)phenyl sulfate core with a 9-1-(1-carboxy-2-oxoethoxy)-2-oxoethanolate substituent; a product of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid oxidation.


protoaphin aglucone(1-)

A phenolate anion that is the conjugate base of protoaphin aglucone, obtained by deprotonation of the phenolic hydroxy group at position 7'; major species at pH 7.3.


5-hydroxyuridine 5'-monophosphate(2-)

A 5-hydroxyuridine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.


Dianion of sn-3-O-(geranylgeranyl)glycerol 1-phosphate arising from deprotonation of the phosphate OH groups.


phosphatidylserine 32:3(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 3 double bonds.


A dicarboxylate that contains four carbon atoms.


The organophosphate oxoanion and tricarboxylic acid trianion formed from sarcinapterin by loss of a proton from the phospho group and from each of the three carboxy groups; major microspecies present at pH 7.3.


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


cardiolipin 60:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 60 carbons and 3 double bonds.


phosphatidylserine 36:5(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 5 double bonds.


A thiazolidinemonocarboxylate formed by proton loss from the carboxy group of amoxicilloyl-butylamine.


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


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,19Z,22Z,25Z,28Z)-3-hydroxytetratriacontatetraenoyl-CoA; major species at pH 7.3.


Dianion of UDP-4-deoxy-4-formamido-beta-L-arabinopyranose arising from deprotonation of the diphosphate function.


S-substituted glutathione(1-)

A peptide anion obtained by deprotonation of the carboxy groups and concomitant protonation of the amino group of any S-substituted glutathione. Major structure at pH 7.3


A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively.


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


isoursodeoxycholate

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


A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methylnonanoyl-CoA; major species at pH 7.3.


docosapentaenoate

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


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the phosphatidyl acyl groups at postions 1 and 2 are specified as heptadecanoyl and lauroyl respectively.


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of 2,3-didehydroadipoyl-CoA.


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


Conjugate base of 4-carboxymethylenebut-2-en-4-olide.


prostaglandin H2(1-)

Conjugate base of prostaglandin H2.


A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-ETE.


An acyl-CoA(4-) that is the tetraanion of 1,4-dihydroxy-2-naphthoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


Any trans,trans-2,4-dienoyl-CoA(4-) that is also saturated at position 6.


Major species at pH 7.3.


sch 210972(2-)

A hydroxy monocarboxylic acid anion that is the conjugate base of sch 210972 resulting from the deprotonation of the carboxy and hydroxy groups. Major microspecies at pH 7.3.


(methylthio)acetate

A monocarboxylic acid anion that is the conjugate base of (methylthio)acetic acid.


prostaglandin F1alpha (1-)

Conjugate base of prostaglandin F1alpha.


hydrogenobyrinic acid a,c-diamide(2-)

A precorrin carboxylic acid anion that is the dianionic form of hydrogenobyrinic acid a,c-diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


A monocarboxylic acid anion that is the conjugate base of icas#10 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol(1-) that is the conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.


phosphatidylserine O-32:4(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 32 carbons and 4 double bonds.


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


2-hydroxy fatty acid anion 20:0

A hydroxy fatty acid anion 20:0 in which the hydroxy substituent is located at position 2.


sn-3-O-phytanylglycerol 1-phosphate(2-)

Dianion resulting from the reduction of all double bonds of sn-3-O-(geranylgeranyl)glycerol 1-phosphate(2-), in which all stereocenters have (R)-configuration.


pentalenate

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


The organophosphate oxoanion and tetracarboxylic acid anion formed from tatiopterin by loss of a proton from the phospho group and from each of the four carboxy groups; major microspecies present at pH 7.3.


(-)-vernolate

A vernolate that is the conjugate base of (-)-vernolic acid, resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A peptide anion obtained by deprotonation of the the three carboxy groups and protonation of the amino group of S-(2-carboxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3.


Dianion of UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


An organic anion obtained by deprotonation of the hydroxy group of 2-hydroxy-5-methylquinone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


deoxylimonoate

The conjugate base of deoxylimonoic acid; major species at pH 7.3.


(S)-PGJ2-S-glutathione conjugate(2-)

A prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (S)-PGJ2-S-glutathione conjugate; major species at pH 7.3.


An organic anion which is obtained by removal of a proton from the hydroxy group of sorgoleone. The major form of sorgoleone at pH 7.3.


The monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2xi)-D-gluco-heptonic acid.


fatty acid anion 17:0

Any saturated fatty acid anion containing 17 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


long-chain 2,3-trans-enoyl CoA(4-)

A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any long-chain 2,3-trans-enoyl CoA (long-chain = chain length between C13 and C22); major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.


Major species at pH 7.3


gibberellin A25(2-)

A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A25.


lysophosphatidylserine 24:2(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 24 carbons and 2 double bonds.


A 3-sn-phosphatidyl-L-serine(1-) in which the 2-acyl group is specified as hexadecenoyl (position of double bond unspecified) while the 1-acyl group remains unspecified.


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


A peptide anion that is the conjugate base of gamma-Glu-Gln, 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 3,4,5-trimethoxycinnamic acid.


The conjugate base of diclofenac.


An EpETE(1-) that is the conjugate base of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


1-methylurate anion

An organic anion obtained by removal of at least one proton from 1-methyluric acid.


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-2-hydroxy-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3.


all-trans-pentaprenyl diphosphate(3-)

The trianion resulting from the removal of the three protons from the diphosphate group of all-trans-pentaprenyl diphosphate; major species at pH 7.3.


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


An acyl-CoA oxoanion that is the pentaanion of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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


cyanoamino acid anion

An amino acid anion modified by the addition of a cyano group.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide; major species at pH 7.3.


N-hexanoylsphingosine 1-phosphate(2-)

A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as hexanoyl; major species at pH 7.3.


1D-myo-inositol 6-phosphate(2-)

A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1D-myo-inositol 6-phosphate.


A 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl substituent is specified as arachidonoyl.


An acyl-CoA(4-) that is the tetraanion of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.


A trimethylbenzoate in which the three methyl substituents are located at positions 2, 4 and 6.


18-hydroxythromboxane A2(1-)

A thromboxane anion that is the conjugate base of 18-hydroxythromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy and sulfate groups of 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-4-O-sulfo-D-galactopyranose arising from deprotonation of carboxylic acid and sulfate functions.


A quadruply-charged nucleotide-sugar oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of UDP-N-acetyl-alpha-D-glucosamine 3-phosphate; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid.


The conjugate base of 4-oxobutanoic acid; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoA.


(S)-camphorsulfonate

The S enantiomer of camphorsulfonate.


DOI: 10.1021/acscatal.1c04321


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any mannosylinositol phosphorylceramide; major species at pH 7.3.


A 2-hydroxy fatty acid anion with a chain that is composed of 24 carbons and 2 double bond (positions unspecified).


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


N-tetracosanoylglycinate

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


Conjugate base of CDP-ethanolamine arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.


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


alpha-D-ribose 5-triphosphate(4-)

An organophosphate oxoanion resulting from the deprotonation of all four phosphate OH groups from alpha-D-ribose 1-triphosphate; it is the major species at pH 7.3.


andrastin B(1-)

An enolate anion resulting from the deprotonation of the enol group of andrastin B. 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


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-N-acetyl-D-mannosamine; major species at pH 7.3.


phenylglyoxylate

A member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid.


Trianion of (R)-5-phosphomevalonic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3.


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


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z)-tetracosatetraenoyl-CoA; major species at pH 7.3.


An anionic unsymmetrical C5 cyanine dye having substituted indoleinine and benzo[e]indoleinine groups at either end.


Alexa Fluor 480(3-)

The anionic form of a fluorescent dye derived from a 3,6-diaminoxanthenium-4,5-disulphate.


A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxyphenylacetic acid; major species at pH 7.3.


A hydroxy monocarboxylic acid anion that is the conjugate base of cis,cis-2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 1-pyrroline-5-carboxylate resulting from the removal of the proton from the carboxy group of (R)-1-pyrroline-5-carboxylic acid.


formate

A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 6-phospho-D-gluconic acid.


N-acetyl-D-hexosamine 1-phosphate(2-)

Dianion of N-acetyl-D-hexosamine 1-phosphate arising from deprotonation of both phosphate OH groups.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA; major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (9Z,12Z)-tetradecadienoyl-CoA; major species at pH 7.3.


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


A 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate where the acrylic double bond has (E)-configuration.


tetralinoleoyl cardiolipin(2-)

A cardiolipin 72:8(2-) obtained by deprotonation of the phosphate OH groups of tetralinoleoyl cardiolipin; major species at pH 7.3.


phosphatidylserine 48:1(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 1 double bond.


6-azauridine 5'-monophosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 6-azauridine 5'-monophosphate. Major species at pH 7.3.


A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of L-gamma-Glu-L-Thr. Major species at pH 7.3.


Dianion of 3-sulfino-L-alanine arising from deprotonation of carboxy and sulfinate groups.


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


An organosulfonate oxoanion that is the conjugate base of 3-sulfolactaldehyde, obtained by deprotonation of the sulfo group; major species at pH 7.3.


adenosine 5'-phosphoramidate(1-)

Conjugate base of adenosine 5'-phosphoramidate; major species at pH 7.3.


The dianion formed by removal of two protons from the phosphate group of 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate.


N-hydroxy-L-isoleucinate

A monocarboxylic acid anion, obtained by removal of a proton from the carboxylic acid group of N-hydroxy-L-isoleucine.


N-acylhomoserinate

The carboxylic acid anion formed by loss of a proton from the carboxy group of N-acylhomoserine.


Dianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of 2,3-bis-O-phytanyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic; major species at pH 7.3.


1-acylglycerone 3-phosphate(2-)

Dianion of a 1-acylglycerone 3-phosphate arising from deprotonation of both OH groups of the phosphate.


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


A monohydroxybenzoate that is the conjugate base of 3-bromo-4-hydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroid sulfate oxoanion which is a dianion obtained by the deprotonation of both the sulfate groups of clathsterol disulfonic acid.


methyl phosphate(2-)

Dianion of methyl phosphate arising from deprotonation of both OH groups of the phosphate.


Conjugate base of (S)-2-hydroxypropyl-CoM.


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


Dianion of 2-(1-hydroxyethyl)thiamine diphosphate arising from deprotonation of the three OH groups of the diphosphate.


N-isovalerylglycinate

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


A monocarboxylic acid anion that is the conjugate base of 5-oxo-4,5-dihydro-2-furylacetic acid.


The (1R,6S)-enantiomer of cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate.


A 2,3-trans-enoyl(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,17Z,20Z,23Z,26Z)-dotriacontapentaenoyl-CoA; major species at pH 7.3.


L-dopachromate

Conjugate base of L-dopachrome.


isocaproate

A  branched-chain saturated fatty acid anion that is pentanoate with a methyl group substituent at position 4.


A monocarboxylic acid anion that is the conjugate base of 3-(trimethylsilyl)propionic acid, obtained by deprotonation of the carboxy group.


A hydroxy fatty acid anion that is the conjugate base of (9S,10R)-dihydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid; major species at pH 7.3.


The E-isomer of 5-hydroxyferulate. Major species at pH 7.3.


succinate

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


hydroperoxydocosahexaenoate

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


The organophosphate oxoanion that is the 2R,5Z isomer of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-); protonated to pH 7.3.


Major species at pH 7.3.


Dianion of N-acetyl-alpha-D-glucosamine 1-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA; major species at pH 7.3.


A fatty acyl-CoA(4-) that is the tetraanion of (15Z)-12-oxophyto-10,15-dienoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major species at pH 7.3.


achromobactin

A citrate siderophore possessing four carboxylate groups suitable for iron coordination.


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


A phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3.


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


L-sorbose 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-sorbose 1-phosphate. Major microspecies at pH 7.3


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

An N-(fatty acyl)-L-alpha-amino acid anion resulting from the formal condensation of the carboxy group of any fatty acid with the amino group of L-serinate. 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->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-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 N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as octadecanoyl (stearoyl).


An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-(12-hydroxyjasmonyl)-L-isoleucine; major species at pH 7.3.


cyclic 2,3-bisphospho-D-glycerate(3-)

An organophosphate oxoanion arising from deprotonation of the phosphate and carboxy groups of cyclic 2,3-bisphospho-D-glyceric acid; major species at pH 7.3.


Major structure at pH 7.3. Conjugate base of CHEBI:40113.


lysophosphatidylinositol 14:0(1-)

A lysophosphatidyl-1D-myo-inositol(1-) in which the remaining acyl group (position not specified) contains 14 carbons and zero double bonds.


3,3'-biflaviolin 2,2'-diolate

Dianion of 3,3'-biflaviolin arising from selective deprotonation of the OH groups at the 2- and 2'-positions.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA.


A 3-oxo monocarboxylic acid anion that is the conjugate base of 4'-O-demethylsordarin, arising from deprotonation of the carboxy group; major species at pH 7.3.


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


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z)-hexadec-11-enoyl-CoA; major species at pH 7.3.


remazole black-GR (4-)

The organosulfonate oxoanion that is the tetraanionic form of the azo dye remazole black-GR.


2,4-divinyl protochlorophyllide a(1-)

A cyclic tetrapyrrole anion that is the conjugate base of magnesium protoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-carbamoyl-L-methioninate

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


An icosanoid anion that is the conjugate base of 5(S),15(S)-DiHETE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA.


A phosphoglycerate obtained by deprotonation of the carboxy group and one of the phosphate OH groups of 3-phosphoglyceric acid.


cardiolipin 84:19(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 84 carbons and 19 double bonds.


Dianion of N(2)-succinyl-L-citrulline arsing from deprotonation of both carboxylic acid groups.


alpha-mycolate type-3 (IV)

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


gamma-aminobutyrate

An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid.


An S-acyl-4'-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-hexadecanoyl-4'-phosphopantetheine; major species at pH 7.3.


hydroperoxy(epoxy)icosatrienoate

A hydroperoxyicosatrienoate having a hydroperoxy substituent on its carbon chain and an epoxidation across one of the double bonds of arachidonate.


N(alpha)-acetyl-L-argininate

An N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy group of N(alpha)-acetyl-L-arginine; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) arising from deprotonation of all five free phosphate OH groups of 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3',5'-bisphosphate); major species at pH 7.3.


A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.


Trianion of 1-(3-sn-phosphatidyl)-sn-glycerol 3-phosphate arising from deprotonation of all three free phosphate OH groups; major species at pH 7.3.


2-hydroxy fatty acid anion 24:1

A 2-hydroxy fatty acid anion with a chain that is composed of 24 carbons and 1 double bond (position  unspecified).


alkyl sulfate(1-)

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any alkyl sulfate; major species at pH 7.3.


all-trans-decaprenyl diphosphate(3-)

An organophosphate oxoanion which is obtained from all-trans-decaprenyl diphosphate by removal of the three protons from the diphosphate group. The major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate.


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


dibutyldithiocarbamate

A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dibutyldithiocarbamic acid.


A peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp.


D-erythrulose 4-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-erythrulose 4-phosphate. Major structure at pH 7.3.


An N-acyl-L-alpha-amino acid anion that is the anion formed by loss of a proton from the carboxy group of N-carbamoyl-L-cysteine; major species present at pH 7.3.


A D-fructofuranose 1,6-bisphosphate(4-) that is the conjugate base of beta-D-fructofuranose 1,6-bisphosphate.


pyrazolide

An organic anion with formula C3H3N2 resulting from the removal of a proton from 1H, 3H, or 4H-pyrazole.


The oxoanion obtained by selective deprotonation of the 7-hydroxy group of kievitone; major species at pH 7.3.


(3Z)-9-methyldec-3-en-1-yl sulfate

An organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-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.


sch 210971(2-)

Based on the structure elucidated in pmid:26360642 for sch 210972 as it is synthesized from the same precursor as described in pmid:25885659


A 2-acyl-sn-glycero-3-phosphate(2-) in which the acyl group is hexadecenoyl (position of double bond not specified).


The arenesulfonate oxoanion that is benzenesulfonate anion with two nitro substituents in the 2- and 4-positions.


all-trans-polyprenyl diphosphate(3-)

Trianion of all-trans-polyprenyl diphosphate arising from deprotonation of the three OH groups of the diphosphate.


dihexadecanoyl phosphatidate(2-)

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


A 2-hydroxy-3-methylpentanoate in which the stereocentres at positions 2 and 3 both have R-configuration.


A benzoate obtained by deprotonation of the carboxy and phenol groups of erythrosin.


A steroid acid anion that is the conjugate base of (25S)-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


D-glyceraldehyde 3-phosphate(2-)

Dianion of D-glyceraldehyde 3-phosphate arising from deprotonation of both OH groups of the phosphate.


A carbohydrate acid derivative anion that is the conjugate base of alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.


Ins-1-P-Cer-A 38:0(1-)

An Ins-1-P-Cer A(1-) in which the acyl group and the ceramide base contain a total of 38 carbons and 0 double bonds. Major species at pH 7.3.


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


Dicarboxylate anion of (2R,3Z)-phycocyanobilin.


A bile acid anion that is the conjugate base of 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


name: O13(4)-desmethyl primary fluorescent dioxobilin-type chlorophyll catabolite(2-)


sn-glycerol 1-phosphate(2-)

A glycerol 1-phosphate(2-) that is the dianion of sn-glycerol 1-phosphate arising from deprotonation of both phosphate OH groups.


phosphatidylserine O-28:0(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 28 carbons and 0 double bonds.


A D-alpha-amino acid anion resulting from the removal of the proton from the carboxy group of N-acetyl-D-methionine.


D-glycerate

A glycerate that is the conjugate base of D-glyceric acid, obtained by deprotonation of the carboxy group.


Major microspecies at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate group of any oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#25, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 44:3(1-)

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


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-[alpha-Neu5Ac-(2->6)]-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group.


3-phosphonato-D-glyceroyl phosphate(4-)

Tetraanion of 3-phospho-D-glyceroyl dihydrogen phosphate arising from deprotonation of both phosphate groups.


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


name: 3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester

description: Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029


Compound 8a


Conjugate base of N-acetyl-LL-2,6-diaminopimelic acid.


A beta-amino acid anion that is the conjugate base of 3-aminoisobutyric acid, arising from deprotonation of the carboxy group.


A monocarboxylic acid anion that is the  conjugate base of 4-guanidinobutanoic acid.


The conjugate base of sulfolipid-1 arising from deprotonation of the sulfate OH group.


A UDP-N-acetyl-D-galactosamine 4,6-bissulfate(4-) in which the anomeric centre of the galactosamine fragment has alpha-configuration


An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of (3S)-3-hydroxy-3-methylglutaryl-CoA.


An organic phosphoramidate anion obtained by deprotonation of the two phosphoramide OH groups of fosaprepitant.


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


An omega-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 16-hydroxyhexadecanoyl-CoA; major species at pH 7.3.


An inositol phosphate oxoanion that is the conjugate base of 1-amino-1-deoxy-scyllo-inositol 4-phosphate, arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 10,11-dihydro-20,20-dihydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


sialic acid anion

A carboxylic acid anion that is the conjugate base of a sialic acid, formed by deprotonation of the carboxy group.


The conjugate base of 5-O-(1-carboxyvinyl)-3-phosphoshikimic acid. It is an intermediate in the shikimate pathway.


crotonate

The conjugate base of crotonic acid; used by some bacterial species as a carbon and energy source.


aryl sulfate oxoanion

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any aryl sulfate. The R group in this structure represents an aromatic ring.


tauro-beta-muricholate

A cholanic acid conjugate anion that is the conjugate base of tauro-beta-muricholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.


Trianion of 5,10-methylenetetrahydromethanopterin arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3.


chromoxane cyanin R(3-)

An organosulfonate oxoanion obtained by deprotonation of the sulfo and carboxy groups of 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid.


A precorrin carboxylic acid anion that is the hexaanion of precorrin-7.


aldehydo-D-galactose 6-phosphate(2-)

An doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of aldehydo-D-galactose 6-phosphate; major species at pH 7.3.


Trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


A C79 alpha-mycolate  having a saturated C26 alpha-branch and a C53 meromycolic chain with a distal cis-double bond and a proximal cis-cyclopropyl function. It is produced by Mycobacterium tuberculosis H37Ra.


L-polyhomomethionine zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of any L-polyhomomethionine; major species at pH 7.3.


Conjugate base of 8(R)-HPETE arising from deprotonation of the carboxylic acid function.


Conjugate base of D-dopachrome.


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


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (2E)-pentenoyl-CoA; major species at pH 7.3.


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


isopentadecanoate

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


organic sulfamate oxoanion

An anion resulting from the removal of a proton from an organic sulfamic acid group.


halistanol sulfate G(3-)

A steroid sulfate oxoanion that is the conjugate base of halistanol sulfonic acid G.


The conjugate base of fenoprofen.


A pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) obtained by deprotonation of the phosphate OH groups of pyrimidine 2'-deoxyribonucleoside 5'-phosphate; major microspecies at pH 7.3.


etherolenate

A long-chain fatty acid anion that is the conjugate base of etherolenic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.


A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2,2-dimethylsuccinic acid; major species at pH 7.3.


Conjugate base of L-gamma-glutamyl-L-cysteine arising from deprotonation of both carboxy groups and protonation of the primary amino group; major species at pH 7.3.


biliverdin beta(2-)

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


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide; major species at pH 7.3.


Conjugate base of 13(S)-HPODE arising from deprotonation of the carboxylic acid function.


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


An octadecatrienoyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of alpha-linolenoyl-CoA.


A hydroxy saturated fatty acid anion that is the conjugate base of 9-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


L-kynureninate

A L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of L-kynurenine .


A dicarboxylic acid dianion that is the conjugate base of 2-aminoadipic acid.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.


4-nitrophenyl sulfate

An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3.


N,N',N''-triacetylchitotrionate

Spontaneous hydrolysis product of CHEBI:143144


rifamycin B(2-)

A hydroxy monocarboxylic acid anion arising from deprotonation of the carboxy and 5-carboxy groups of rifamycin B; major species at pH 7.3.


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylvitexin 2''-O-alpha-L-rhamnoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


uroporphyrinogen III(8-)

An octacarboxylic acid anion obtained by deprotonation of all eight carboxy groups of uroporphyrinogen III.


dihomolinoleate

An octadecadienoate that is the conjugate base of dihomolinoleic acid.


Conjugate base of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid.


Conjugate base of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid.


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of 2-(E)-O-feruloyl-D-galactaric acid.


Any very long-chain 2,3-trans-enoyl CoA(4-) in which the fatty acyl group has a chain length greater than C27.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-hydroxyphenylpyruvic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1b(d18:1/C18:0); major species at pH 7.3.


N,N-dihydroxy-L-trihomomethioninate

An N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-trihomomethionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Major microspecies at pH 7.3.


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


A 1-phosphatidyl-1D-myo-inositol 3,5-bisphosphate(5-) arising from deprotonation of all five free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,5-bisphosphate); major species at pH 7.3.


m-toluate

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


An organophosphate oxoanion obtained by removal of the proton from the phosphate group of L-seryl-AMP.


An N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as stearoyl (octadecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.


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


name: archaeal dolichyl alpha-D-glucosyl phosphate(1-)

description: An organophosphate oxoanion that is the conjugate base of archaeal dolichyl alpha-D-glucosyl phosphate arising from deprotonation of the phosphate OH group; major species at pH 7.3. Dolichol used by archaea is is generally much shorter (C55-C60) than that used by eukaryotes and may have additional saturation positions in the chain.


Major species at pH 7.3


A polyunsaturated fatty acid anion that is the conjugate base of 17,18-EETeTr, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Major species at pH 7.3.


methoxide

An organic anion that is the conjugate base of methanol.


A pyridinedicarboxylate that is the major structure of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid at pH 7.3.


methoxymycolate type-1 (VI)

The conjugate base of methoxymycolic acid type-1 (VI). A class of mycolic acids characterized by the presence of a proximal cis-cyclopropyl group and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.


A retinoid glucuronide anion that is the conjugate base of 1-O-all-trans-retinoyl-beta-D-glucuronide arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


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


An oxo dicarboxylate obtained by removal of a proton from both of the carboxylic acid groups of (Z)-5-oxohex-2-enedioic acid.


D-lyxonate

A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group.


A hydroxy monocarboxylic acid anion that is the conjugate base of 1-hydroxy-2-naphthoic acid.


A phenolate anion that is the conjugate base of 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.).


Tetraanion of (24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA arising from deprotonation of phosphate and diphosphate OH groups.


quinolinate

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


An omega-hydroxy fatty acid anion that is the conjugate base of 18-hydroxy-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


L-xylulose 5-phosphate(2-)

An organophosphate oxoanion that is the dianion of L-xylulose 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


phosphatidylserine 43:6(1-)

A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 43 carbons with 6 double bonds.


montbretin A(1-)

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


Dianion of D-erythro-3-methylmalic acid.


N-acetyl-L-alpha-phenylglycinate

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


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


A nucleotide-sugar oxoanion that is the conjugate base of UDP-4-amino-4-deoxy-beta-L-arabinopyranose, arising from deprotonation of the diphosphate group and protonation of the amino group.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#36, obtained by deprotonation of the carboxy group; major species at pH 7.3.


2-hydroxypropyl phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-hydroxypropyl dihydrogen phosphate; major species at pH 7.3.


Tetraanion of 3-hydroxyphenylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of UDP-2,3-bis[(3R)-3-hydroxytetradecanoyl]-alpha-D-glucosamine; major species at pH 7.3.


isonocardicin A(2-)

An oxime anion that is the major structure of isonocardicin A at pH 7.3.


phosphatidylserine O-34:6(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 34 carbons and 6 double bonds.


An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of guanosine 5'-[beta,gamma-methylene]triphosphate.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-fluorobenzoyl-AMP; major microspecies at pH 7.3.


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


Renilla luciferyl sulfate(1-)

An organosulfate oxoanion that is the conjugate base of Renilla luciferyl sulfate; major species at pH 7.3.


octadecatetraenoate

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


hydrogen ((13)C)carbonate

A carbon oxoanion that is hydrogencarbonate in which the carbon is present as its (13)C isotope.


A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid.


4-nitrophenyl methylphosphonate

A C-nitro compound that is a phosphonate transition state analogue with affinity for catalytic antibody (esterase) CNJ206.


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


phosphate monoester dianion

Any organphosphate oxoanion resulting from the removal of both protons from the phosphate group of a phosphate monoester. The major species at pH 7.3.


A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-EDE.


An organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of pppGp(2'->5')A; major species at pH 7.3.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,23Z,26Z,29Z,32Z,35Z)-3-hydroxyoctatriacontapentaenoyl-CoA; major species at pH 7.3.


N-hydroxy-L-phenylalaninate

Conjugate base of N-hydroxy-L-phenylalanine.


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


7-demethylmitomycin B(1-)

An organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin B.


The dianion resulting from the removal of two protons from the diphosphate group of N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol.


hypusinate

A L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of hypusine.


A 2-monolysocardiolipin(2-) in which the acyl group at position 2 is specified as linoleoyl while those at positions 1 and 1' remain unspecified.


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


arachidonate

A long-chain fatty acid anion resulting from the removal of a proton from the carboxy group of arachidonic acid.


phosphatidylserine 44:12(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 44 carbons in total and 12 double bonds.


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


A 1-acyl-2-hexadecanoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl group is also hexadecanoyl; major species at pH 7.3.


An acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA.


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


The conjugate base of (R)-3-(5-benzyloxyindol-3-yl)lactic acid.


A glycerophosphoglycerol(1-) having (R,S)-configuration.


uroporphyrinogen I(8-)

The cyclic tetrapyrrole anion that is the octacarboxylate anion of uroporphyrinogen I.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid


Dicarboxylate anion of trans-2,3-epoxysuccinic acid.


cardiolipin 80:14(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 80 carbons and 14 double bonds.


An acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino function of L-3-aminobutanoyl-CoA.


An alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration.


A carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A tartaric acid anion that is the conjugate base of 3-carboxy-2,3-dihydroxypropanoate.


chlorophyll b(1-)

The cyclic tetrapyrrole anion that is chlorophyll b protonated to pH 7.3.


Dianion of GDP-4-dehydro-6-deoxy-alpha-D-mannose arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


fatty acid anion 28:0

Any saturated fatty acid anion containing 28 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


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


A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-aspartic acid.


A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate that has R configuration at the chiral centre.


Dicarboxylate anion of 2-dehydro-3-deoxy-D-glucaric acid; major species at pH 7.3.


Dianion of alpha-D-galactosyl undecaprenyl diphosphate arising from deprotonation of both free diphosphate OH groups.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of SAICAr; major species at pH 7.3.


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


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


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


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


A phenolate anion that is the conjugate base of catecholate(1-).


The conjugate base of 2-hydroxypenta-2,4-dienoic acid.


A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 9(R)-HPODE.


A polyunsaturated fatty acid anion that is the conjugate base of (18Z,21Z,24Z,27Z,30Z)-hexatriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid anion that is the conjugate base of adipiodone arising from deprotonation of the two carboxy groups; major species at pH 7.3.


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


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-ribofuranose-2,5-bisphosphate; major species at pH 7.3.


A cyclic tetrapyrrole anion that is obtained from any 7(1),7(1)-hydroxybacteriochlorophyllide d via deprotonation of the carboxy group; major species at pH 7.3.


The anion resulting from the removal of a proton from the carboxylic acid group of 1-pyrroline-2-carboxylic acid.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (Z)-3-amino-2-methylacrylic acid. The major species at pH 7.3.


resolvin T1(1-)

A docosanoid anion that is the conjugate base of resolvin T1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 1-alkylglycero-3-phosphoserine(1-) in which the alkyl substituent can be any alk-1-enyl group.


a (Kdo)2-(acyl)-lipid IVA(6-)

(Kdo)2-(acyl)-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy group and with unspecified (3R)-3-hydroxyacyl chains.


(-)-quinate

A quinate that is the conjugate base of (-)-quinic acid.


An icosadienoate obtained by deprotonation of the carboxy group of (8Z,11Z)-icosadienoic acid; major species at pH 7.3.


phosphatidylserine O-30:5(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 5 double bonds.


A nucleotide-sugar oxoanion obtained by deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid; major species at pH 7.3.


cardiolipin 72:9(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 9 double bonds.


docosatrienoate

A polyunsaturated fatty acid anion containing 22 carbons and 3 double bonds. Major species at pH 7.3.


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


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


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxylic acid groups of 3-propylmalic acid.


An organophosphate oxoanion resulting from the removal of two protons from the diphosphate group of N-acetyl-alpha-D-galactosaminyl-1-diphospho-ditrans,polycis-undecaprenol.


alpha-D-fructuronate

The alpha-anomer of D-fructuronate.


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


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


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#21-CoA; major species at pH 7.3.


A hydroxy monocarboxylic acid anion that is the conjugate base of 12-hydroxyjasmonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Se-methyl-D-selenocysteinate

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


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of [(2R)-3,3,4-trimethyl-6-oxo-3,6-dihydro-1H-pyran-2-yl]acetyl-CoA; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of (R,R)-2-oleoylglycero-1-phospho-1'-glycerol obtained by deprotonation of the phosphate OH group; major species at pH 7.3.


oxo carboxylic acid anion

Any carboxylic acid anion containing at least one oxo group.


2'-deoxynucleoside 5'-monophosphate(2-)

An organophosphate oxoanion formed by deprotonation of the phosphate OH groups of any 2'-deoxynucleoside 5'-monophosphate.


A monocarboxylic acid anion that is the conjugate base of ent-7alpha-hydroxykaur-16-en-19-oic acid, obtained by deprotonation of the carboxy group.


maleate

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


heptanoate

A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.


A dicarboxylic acid anion obtained by deprotonation of the carboxy and phosphino groups of 2-(phosphinomethylidene)butanedioic acid; major species at pH 7.3.


pyridoxate

A pyridinemonocarboxylate obtained by deprotonation of the carboxy group of any pyridoxic acid.


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


A 4-hydroxy-2-oxoglutarate(2-) having D-configuration.


A 2-acyl-sn-glycero-3-phosphoserine(1-) in which the acyl group is an hexadecenoyl with the position of the double bond unspecified.


Conjugate base of 3-demethylubiquinone-9.


A hydroxy fatty acid anion that is the conjugate base of 13(S)-HODE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


A 2-methylbutanoyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (R)-2-methylbutanoyl-CoA; major species at pH 7.3.


A carbohydrate acid derivative anion  resulting from the deprotonation of the carboxy group of alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-[alpha-L-Fucp-(1->3)]-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-beta-D-GlcpNAc. The major species at pH 7.3


4-ethylphenyl sulfate(1-)

A phenyl sulfate oxoanion that is the conjugate base of 4-ethylphenyl sulfate, obtained by deprotonation of the sulfate group; major species at pH 7.3.


m-azobenzenesulfonate

The conjugate base of m-azobenzenesulfonic acid.


An organosulfonate oxoanion that is the conjugate base of 3-sulfolactaldehyde, obtained by deprotonation of the sulfo group; major species at pH 7.3.


phosphatidylserine 38:4(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 38 carbons in total and 4 double bonds.


ribonucleoside 3'-monophosphate(2-)

A ribonucleoside 3'-monophosphate(2-) oxoanion in which both of the acidic hydroxy groups from the phosphate moiety are deprotonated.


A UDP-N-acetyl-D-muramate(3-) in which the anomeric centre of the pyranose fragment has alpha-configuration.


A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (14E)-hexadecenoyl-CoA; major species at pH 7.3.


The organophosphate oxoanion obtained by deprotonation of the diphosphate hydroxy groups of the reduced form of flavin adenine dinucleotide (FADH2).


A carbohydrate acid derivative anion arising from deprotonation of the carboxy and 5-hydroxy groups of luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate; major microspecies at pH 7.3 (according to Marvin 6.2.0.).


maleylacetate

A 4-oxohex-2-enedioate that is the conjugate base of maleylacetic acid.


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


hydroxydocosahexaenoate

A hydroxy polyunsaturated fatty acid anion obtained by the deprotonation of the carboxy group of any hydroxydocosahexaenoic acid.


An anionic phospholipid obtained by deprotonation of the phosphate group of any N-acyllysophosphatidylethanolamine; major species at pH 7.3.


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


A tricarboxylic acid monoanion that is the conjugate base of citric acid, obtained by deprotonation of one of the three carboxy groups.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (11Z,14Z,17Z)-3-oxoicosatrienoyl-CoA.


A carbohydrate acid anion that is the conjugate base of 3-deoxy-L-threo-hex-2-ulopyranosonic acid, obtained by deprotonation of the carboxy group.


The conjugate base of 13-hydroxydocosanoic acid.


dihydroxyicosatetraenoate

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


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 4-fluorobenzoyl-AMP; major microspecies at pH 7.3.


An acyl-CoA oxoanion that is the pentaanion of trans-2-octenedioyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.


benzenamine sulfate(1-)

An organic sulfamate oxoanion obtained by deprotonation of the sulfamate OH group of benzenamine sulfate.


An aconitate(3-) that is the conjugate base of cis-aconitic acid.


phenolate anion

An organic anion arising from deprotonation of the OH function of a phenol compound.


A beta-amino-acid anion obtained by deprotonation of the carboxy group of (3-aminopropyl)(L-aspartyl-1-amino)phosphoryl-5'-adenosine.


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


oxopentanoates

The conjugate base of any oxopentanoic acid.


A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 3-chloroacrylic acid.


The conjugate base of a 1-alkyl-2-acylglycero-3-phosphoinositol; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 1-methyl-4-imidazoleacetic acid, obtained by deprotonation of the carboxy group.


A steroid sulfate oxoanion and N-acylglycinate that is the dianion of sulfoglycolithocholic acid arising from deprotonation of carboxylic acid and sulfate functions; major species at pH 7.3.


A phenolate anion resulting from the deprotonation of the hydroxy group that is para- to the aldehyde group of ascofuranol. The major species at pH 7.3.


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


An organophosphate oxoanion obtained by the deprotonation of the carboxy and phospho groups and protonation of the amino group of O-(N-acetylglucosamine-1-phosphoryl)-L-serine: 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 2-hydroxyoctadecenoate resulting from the deprotonation of the carboxy group of 2-hydroxyoleic acid; major species at pH 7.3.


maleamate

A monocarboxylic acid anion that is the conjugate base of maleamic acid.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#23, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A N-arachidonoylphosphatidylethanolamine where the acyl chains at the sn-1 and sn-2 positions of the glycerol molecule are unspecified.


An oxo dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 4-hydroxy-4-methyl-2-oxoglutaric acid; major species at pH 7.3.


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


The pentaanion of a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate.


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


A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-acetamido-4,6-dideoxy-D-glucose.


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phenol groups of 2-hydroxy-6-(2-hydroxyphenyl)-6-oxo-cis,cis-hexa-2,4-dienoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,18Z,21Z,24Z,27Z,30Z,33Z)-hexatriacontaheptaenoyl-CoA; major species at pH 7.3.


rifamycin SV hemiaminal(1-)

A phenolate anion resulting from the deporotonation of the phenolic hydroxy group of rifamycin SV hemiaminal. The major species at pH 7.3.


phosphatidylserine O-44:4(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 44 carbons and 4 double bonds.


phosphatidylserine O-30:4(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 30 carbons and 4 double bonds.


1,2,3-benzenetriol monosulfate(1-)

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any 1,2,3-benzenetriol monosulfate.


A phosphatidate(2-) obtained by deprotonation of both phosphate OH groups of 1-stearoyl-2-arachidonoylphosphatidic acid; major species at pH 7.3.


3-dehydrocarnityl CoA(3-)

A triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-dehydrocarnityl CoA; major species at pH 7.3.


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


picrate anion

A phenolate anion resulting from deprotonation of the phenolic hydroxy group of picric acid.


tetracarboxylic acid anion

Any anion of a tetracarboxylic acid formed by deprotonation of one or more carboxy groups.


An organophosphate oxoanion that is the conjugate base of N(2),N(2),N(7)-trimethylguanosine 5'-phosphate.


Conjugate base of 5-oxo-L-proline.


(E,E)-sorbate

A sorbate obtained by deprotonation of the carboxy group of (E,E)-sorbic acid.


penturonate

A uronate obtained by deprotonation of the carboxy group of any penturonic acid.


Tetraanion of methacrylyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.


acetaminophen O-beta-D-glucosiduronate

A beta-D-glucosiduronate that is the conjugate base of acetaminophen O-beta-D-glucosiduronic acid, obtained by deprotonation of the carboxy group.


phosphatidylinositol 46:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 46 carbons in total and 1 double bond.


An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-erythro-1-(imidazol-4-yl)glycerol 3-phosphate; major species at pH 7.3.


Dianion of UDP-N-acetyl-alpha-D-glucosamine arising from deprotonation of both free diphosphate OH groups; major species at pH 7.3.


phosphatidylserine 30:5(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 5 double bonds.


A nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-3-keto-alpha-D-glucose


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 25 carbons, 1 double bond and a hydroxy group at C2.


Major species at pH 7.3.


A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of glutathione; major species at pH 7.3.


A carboxyalkyl phosphate oxoanion resuting from deprotonation of the carboxy and phosphate groups of 3-phosphooxypyruvic acid.


A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-)  that is the conjugate base of dimyristoyl phosphatidylglycerol; major species at pH 7.3.


A peptide anion obtained by deprotonation of both carboxy groups of S-nitrosoglutathione.


adenosylcobalamin 5'-phosphate(2-)

The conjugate base of adenosylcobalamin 5'-phosphate, formed by loss of two protons from the 5'-phosphate group.


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


An organophosphate oxoanion arising from deprotonation of the four diphosphate OH groups of molybdate-bis(molybdopterin guanine dinucleotide); major species at pH 7.3.


2'-deoxyinosine 5'-phosphate(2-)

A 2'-deoxyribonucleoside 5'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyinosine 5'-monophosphate; major species at pH 7.3.


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


A dichloromuconate(2-) obtained by deprotonation of the carboxy groups of 2,3-dichloromuconic acid; major species at pH 7.3.


An organic anion resulting from the deprotonation of the hydrogen-bearing nitrogen of the imidazole group of esomeprazole.


Tetraanion of cis-tetradec-11-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


Major species at pH 7.3


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of quinclorac. The major species at pH 7.3.


The  monocarboxylic acid anion formed by deprotonating carumonam at the carboxyl proton.


pivalate

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of pivalic acid.


tuberonate

A 5-oxo monocarboxylic acid anion that is the conjugate base of tuberonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


vancomycin aglycone(1-)

A peptide anion that is the conjugate base of vancomycin aglycone and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An L-alpha-amino acid anion arsing from deprotonation of the carboxy and phosphate OH groups of 4-phospho-L-aspartic acid.


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of prunetin. It is the major microspecies at pH 7.3


An icosatetraenoate that is the conjugate base of (5Z,11Z,14Z,17Z)-icosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


3',5'-cyclic GMP(1-)

The conjugate base of guanosine 3',5'-cyclic phosphate arising from deprotonation of the free phosphate OH group; major species at pH 7.3.


The conjugate base of thiomorpholine-3-carboxylic acid.


pentalenolactone E(1-)

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


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


beta-D-glucose 6-phosphate(2-)

A doubly-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of beta-D-glucose 6-phosphate; major species at pH 7.3.


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


A phosphatidylglycerol(1-) in which the phosphatidyl moiety has R-configuration and the glycerol moiety has S-configuration.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-4-epi-vancosamine, arising from deprotonation of the diphosphate group and protonation of the amino group.


Trianion of (R)-5-phosphopantoic acid arising from deprotonation of the carboxy and phosphate OH groups; major species at pH 7.3


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


An organophosphate oxoanion obtained by deprotonation of the phosphate and protonation of the amino group of norbaeocystin; major species at pH 7.3.


A leukotriene anion that is the conjugate base of Delta(6)-trans-12-epi-leukotriene B4, obtained by deprotonation of the carboxylic acid function; major species at pH 7.3.


D-ribose 1,5-bisphosphate(4-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-ribose 1,5-diphosphate; major species at pH 7.3.


A 2-oxo monocarboxylic acid corresponding to the conjugate base of 4-hydroxy-2-oxopentanoic acid; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 3''-O-butanoyl-ADP-D-ribose; major species at pH 7.3.


7(1)-hydroxychlorophyll a(1-)

The cyclic tetrapyrrole anion that is the major form of 7(1)-hydroxychlorophyll a at pH 7.3 (according to Marvin v. 6.2.0).


taurocholate

An organosulfonate oxoanion that is the conjugate base of taurocholic acid.


A trans-3-enoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-dec-3-enoyl-CoA; major species at pH 7.3.


organosulfonate oxoanion

An organic anion obtained by deprotonation of the sufonate group(s) of any organosulfonic acid.


very long-chain 3-oxoacyl-CoA(4-)

A 3-oxoacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any very long-chain 3-oxoacyl-CoA (very long-chain = chain length greater than C22); major species at pH 7.3.


1,2-diacylglycerol 3-diphosphate(3-)

An organophosphate oxoanion resulting from the removal of the three protons from the diphosphate group of 1,2-diacylglycerol 3-diphosphate.


An organic anion that is the conjugate base of cabotegravir, obtained by deptotonation of the 6-hydroxy group.


A phenolate anion that is the conjugate base of 3,6-dichlorocatechol, obtained by deprotonation of one of the twophenolic hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.).


dibunate

A naphthalenemonosulfonate obtained by the deprotonation of the sulfonic acid group of dibunic acid.


mycobilin a(2-)

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


An arenesulfonate arising from deprotonation of the sulfo groups of 4,4'-bis({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)stilbene-2,2'-disulfonic acid.


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


phosphatidylserine 40:2(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 40 carbons in total and 2 double bonds.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,23Z,26Z,29Z,32Z,35Z)-octatriacontahexaenoyl-CoA; major species at pH 7.3.


A  conjugate base of 1-acyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol)


2-deoxy-alpha-D-ribose 1-phosphate(2-)

Dianion of 2-deoxy-alpha-D-ribose 1-phosphate.


Trianion of UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-mannuronic acid arising from deprotonation of carboxylic acid and diphosphate functions.


Alexa Fluor 488 meta-isomer

The 5-isomer of Alexa-Fluor 488.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of beta-D-4-deoxy-Delta(4)-GlcpA-(1->3)-beta-D-GlcpNAc.


A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of any 5alpha-androstane-3beta,17beta-diol monosulfate.


An inositol-1-phospho-N-(2-hydroxyhexacosanoyl)phytosphingoid(1-) in which the sphingoid base portion contains 18 carbons.


undecanoate

A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3.


A UDP-L-iduronate(2-) in which the anomeric centre of the sugar component has beta-configuration; major species at pH 7.3.


Dianion of 5-formimidoyltetrahydrofolic acid arising from deprotonation of both carboxylic acid functions.


An acyl-CoA(4-) that is the tetraanion of feruloyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.


The carbohydrate acid derivative anion formed by proton loss from the carboxy group of alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone


cyclosporin A sulfate

An organosulfate oxoanion that is the conjugate base of cyclosporin A hydrogen sulfate resulting from the deprotonation of the sulfooxy group. It is a metabolite of cyclosporin A found in human bile and plasma.


aurintricarboxylate

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


Major microspecies at pH 7.3.


A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1,2-dihexadecanoyl-sn-glycero-3-phospho-L-serine; major species at pH 7.3.


Conjugate base of flavonol 3-O-(6-O-malonyl-beta-D-glucoside).


A 2'-deoxyribonucleoside 5'-triphosphate(4-) that is the tetraanion of 2'-deoxyadenosine 5'-triphosphate (dATP), arising from deprotonation of the four triphosphate OH groups; major species at pH 7.3.


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


ferroheme o(2-)

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


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


isobutyrate

A branched, short-chain, saturated fatty acid anion; the conjugate base of isobutyric acid, formed by deprotonation of the carboxylic acid group.


Major species at pH 7.3


flufenamate

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of flufenamic acid.


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


A dicarboxylic acid dianion that is obtained by removal of a proton from both of the carboxylic acid groups of citramalic acid.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA.


aldehydo-D-glucose 6-phosphate(2-)

Dianion of aldehydo-D-glucose 6-phosphate arising from deprotonation of the two OH groups of the phosphate.


2-saturated acyl-CoA(4-)

Any acyl-CoA oxoanion resulting from the formal condensation of the thiol group of coenzyme A(4-) with a fatty acid which is saturated at position 2.


(R)-3-oxoisoapionate 4-phosphate(-)

Major microspecies at pH 7.3


olivetolate

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of olivetolic acid. The major species at pH 7.3.


taurochenodeoxycholate 7-sulfate(2-)

A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of taurochenodeoxycholic acid 7-sulfate; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(5-hydroxyindol-3-yl)pyruvic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1,2-dihexadecanoyl-sn-glycero-3-phospho-D-myo-inositol.


quercetin-7-olate 3,4'-bissulfate(3-)

A flavonoid oxoanion arising from deprotonation of the sulfate and 7-hydroxy groups of quercetin 3,4'-bissulfate; major species at pH 7.3.


The dianion of balsalazide.


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


lipid A-core 1-diphosphate(11-)

A lipid A oxoanion obtained via deprotonation of the carboxy, phosphate and diphosphate OH groups of lipid A-core 1-diphosphate.


keto-L-tagatose 6-phosphate(2-)

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


cyclic di-AMP(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of cyclic di-AMP; major species at pH 7.3.


N,N-dimethylethanolamine phosphate(1-)

Conjugate base of N,N-dimethylethanolamine phosphate.


D-ribose 5-triphosphate(4-)

An organophosphate oxoanion resulting from the deprotonation of all four phosphate OH groups from D-ribose 5-triphosphate; major species at pH 7.3.


deoxyviolaceinate

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


An optically active form of 3-isopropenyl-6-oxoheptanoate having (3S)-configuration.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,8Z,11Z,14Z,17Z)-3-hydroxyicosatetraenoyl-CoA; major species at pH 7.3.


1-oleoylglycerone 3-phosphate(2-)

A 1-acylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-oleoylglycerone 3-phosphate; major species at pH 7.3.


An icosapentaenoate that is the conjugate base of all-cis-5,8,11,14,17-icosapentaenoic acid, arising from deprotonation of the carboxylic acid group.


Dianion of a CDP-acylglycerol arising from deprotonation of both phosphate OH groups.


name: omega-hydroxy-long-chain fatty acid anion

description: An omega-hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-hydroxy-long-chain fatty acid; major species at pH 7.3.


N-acetyl-L-isoleucinate

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


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA.


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


An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of alpha-D-FucNAc4-(1->4)-beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-undecaprenyl diphosphate; major species at pH 7.3.


An omega-hydroxy fatty acid anion that is the conjugate base of 18-hydroxylinoleic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of dethiobiotin; major species at pH 7.3.


biochanin A 7-O-beta-D-glucoside(1-)

A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of biochanin A 7-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA.


A ketogluconate that is the conjugate base of 5-dehydro-L-gluconic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3


N-[(R)-pantothenoyl]-L-cysteinate

Conjugate base of N-[(R)-pantothenoyl]-L-cysteine.


An organic anion that is the conjugate base of (R)-warfarin,  obtained by deprotonation of the hydroxy group.


phosphatidylserine O-38:6(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 38 carbons and 6 double bonds.


cysteamine S-phosphate(2-)

An organic phosphorothioate anion that is the conjugate base of cysteamine S-phosphate, obtained by deprotonation of the two free thiophosohate OH groups and protonation of the amino group.


An octuply-charged cyclic tetrapyrrole anion arising from global deprotonation of the carboxy groups of sirohydrochlorin; major species at pH 7.3.


2',3'-cyclic UMP(1-)

A 2',3'-cyclic nucleotide(1-) which is obtained from 2',3'-cyclic UMP by removal of a proton from the cyclic phosphate group.


octatriacontatetraenoate

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


An 11,12-EET(1-) that is the conjugate base of (11R,12S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N,N-dihydroxy-alpha-amino-acid anion

An N,N-dihydroxylated alpha-amino-acid anion.


Major species at pH 7.3.


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


dehydroabietate

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


An octadecanoid anion that is the conjugate base of 9,10-epoxy-18-hydroxy-(12Z)-octadecenoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


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


A monocarboxylic acid anion resulting from the deprotonation of 9beta-pimara-7,15-dien-19-oic acid; the major species at pH 7.3


pentenoate

A short-chain, saturated fatty acid anion that is the conjugate base of any pentenoic acid, formed by deprotonation of the carboxylic acid group.


picolinate

A pyridinemonocarboxylate resulting from the removal of a proton from the carboxy group of picolinic acid.


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


Dicarboxylate anion of 4,5-dihydroxyphthalic acid; major species at pH 7.3.


The conjugate base of uracil-5-carboxylic acid; major species at pH 7.3.


A tetracarboxylic acid anion that results from the removal of a proton from all four carboxylic acid groups of dipyrrolylmethanemethyl-L-cysteine residue. Major species at pH 7.3.


An epoxy(hydroxy)icosatrienoate that is the conjugate base of 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


cardiolipin 78:10(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 78 carbons and 10 double bonds.


coenzyme F430(5-)

The penta-anion resulting from the removal of a proton from each of the carboxylic acid groups of coenzyme F430. The major species at pH 7.3.


An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group.


An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of S-(1-hydroxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3.


The conjugate base of 2-nitrophenol; major apecies at pH 7.3.


glycinate

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


A long-chain fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-17-hydroxyoctadec-9-enoic acid  17-O-beta-D-glucoside.


A monocarboxylic acid anion that is the conjugate base of (4-hydroxy-3-nitrophenyl)acetic acid, obtained by deprotonation of the carboxy group.


The L-enantiomer of altrarate(2-).


The S-enantiomer of 2-hydroxypalmitate.


A polyunsaturated fatty acid anion that is the conjugate base of (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N-acylglycinate

A carboxylic acid anion obtained by deprotonation of the carboxy group of any N-acylglycine.


Dianion of (2E)-3-(methoxycarbonyl)pent-2-enedioic acid arising from deprotonation of both carboxylic acid functions.


A monocarboxylic acid anion that is the conjugate base of 5,10-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The dianion obtained by removal of two acidic protons from 2-phospho-L-lactic acid.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA.


Tricarboxylate anion of (2Z)-but-2-ene-1,2,3-tricarboxylic acid; major species at pH 7.3.


azocarmine G(1-)

An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 7-phenyl-5-[(4-sulfophenyl)imino]-5,7-dihydrobenzo[a]phenazine-3-sulfonic acid.


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and phosphate OH groups of 4-O-phosphono-D-threonic acid; major species at pH 7.3.


unsaturated fatty acid anion

Any fatty acid anion containing at least one C-C unsaturated bond; formed by deprotonation of the carboxylic acid moiety.


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


threonate

A 2,3,4-trihydroxybutanoate that is the conjugate base of threonic acid.