A doubly-charged alpha-amino-acid anion arising from deprotonation of the carboxy and phosphate groups of N-adenylyl-L-phenylalanine; major species at pH 7.3.


A HPETE anion that is the conjugate base of 5-HPETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


cimicifugate K

Conjugate base of cimicifugic acid K; major microspecies at pH 7.3.


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


An organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of NADP(+); major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 4-nitro-6-oxohepta-2,4-dienedioic acid; major species at pH 7.3.


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


N-carbamoyl-L-tryptophanate

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


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


L-tetrahomomethionine zwitterion

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


An organophosphate oxoanion obtained by deprotonation of both free diphosphate OH groups of alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7.3.


gibberellin A1(1-)

Conjugate base of gibberellin A1.


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


An organophosphate oxoanion derived from 2-O-(6-phosphono-alpha-D-mannosyl)-D-glyceric acid by removal of the two protons from the phosphate group and the proton from the carboxylic acid group.


A prephenate(2-) obtained by deprotonation of both carboxy groups of (1s,4s)-prephenic acid; major species at pH 7.3.


phosphatidylserine 28:4(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 28 carbons in total and 4 double bonds.


phenylpyruvate

A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of either keto- or enol-phenylpyruvic acid.


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


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


N-acetylglycinate

An N-acylglycinate arising from deprotonation of the carboxy group of N-acetylglycine; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide.


short chain fatty acyl-CoA(4-)

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


A monocarboxylic acid anion that is the conjugate base of N-(3,4-dichlorophenyl)malonamic acid arising from deprotonation of the carboxy group.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (2E,4Z)-deca-2,4-dienoyl-CoA; major species at pH 7.3.


D-ribulose 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-ribulose 5-phosphate. Major structute at pH 7.3.


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


An icosanoid anion that is the conjugate base of 5(S)-HETE, obtained by deprotonation of the hydroxy group; major species at pH 7.3.


N-isobutyrylglycinate

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


An unsaturated fatty acid anion that is the conjugate base of all-cis-8,11,14,17-icosatetraenoic acid, obtained by deprotonation of the carboxy group.


A hydroxybenzoate that is obtained by removal of a proton from the carboxylic acid group of 6-methylsalicylic acid.


nucleoside 5'-diphosphate(3-)

Trianion of nucleoside diphosphate arising from deprotonation of all three free OH groups of the diphosphate; major species at pH 7.3.


An organic nitrogen anion that is the conjugate base of sulfacetamide arising from deprotonation of the N-acylsulfonamide function.


N-(carboxylatoaminomethyl)urea

Conjugate base of N-(carboxyaminomethyl)urea.


An organophosphate oxoanion resulting from deprotonation of the carboxy and phosphate OH groups of beta-D-ManNAcA-(1->4)-alpha-D-GlcNAc-1-diphospho-ditrans,polycis-undecaprenol; major species at pH 7.3.


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


Tetraanion of (24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.


A steroid glucuronide anion that is the conjugate base of 2-methoxyestrone 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


phosphatidylserine 42:5(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 42 carbons in total and 5 double bonds.


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-arachidonoyl)ethanolamine; major species at pH 7.3.


A straight-chain unsaturated fatty acid anion that is the conjugate base of (E)-hexadec-2-enoic acid, obtained by deprotonation of the carboxy group.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of (R)-lipoyl-GMP; major species at pH 7.3.


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


Trianion of UDP-N-acetyl-D-galactosamine 4-sulfate arising from deprotonation of the sulfate and phosphate OH groups; major species at pH 7.3.


sulfosungeidine E

Major microspecies at pH 7.3.


The anion of 3-(5-benzyloxyindol-3-yl)pyruvic acid.


hydrogen phosphonatoacetate(2-)

A  monocarboxylic acid anion that is the dianion of phosphonoacetic acid arising from deprotonation of the carboxylic acid and partial depronation of the phosphate.


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


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


A monocarboxylic acid anion that is the conjugate base of oscr#34, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A hydroperoxydocosapentaenoate that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


dihexosylceramide sulfate(1-)

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


A 2-trans-abscisate obtained by removal of a proton from the carboxy group of (R)-2-trans-abscisic acid.


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

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


Any glycosyloxyflavone that consists of a flavonol attached to a beta-D-glucosyl residue at position 7 via a glycosidic linkage.


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


A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of 5'-xanthylic acid; major species at pH 7.3.


versicolorin A(1-)

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


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


phosphatidylserine 42:1(1-)

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


N-benzyloxycarbonyl-L-leucinate

An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-benzyloxycarbonyl-L-leucine.


A docosanoid anion that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N-acetyl-L-valinate

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


Conjugate base of lipoyl-AMP arising from deprotonation of the free phosphate OH group.


phosphatidylinositol 38:5(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 38 carbons in total and 5 double bonds.


A hydroxy monocarboxylic acid anion that is the conjugate base of 6-hydroxy-3-isopropenylheptanoic acid, arising from deprotonation of the carboxy group. Product of the hydrolysis of 4-isopropenyl-7-methyloxepan-2-one.


Trianion arising from deprotonation of all three carboxylic acid groups of (2S,3S)-2-methylcitric acid.


15-dehydro-prostaglandin E2(1-)

Conjugate base of 15-dehydro-prostaglandin E2.


An organic nitrogen anion formed from cyanamide by loss of its two protons.


A monocarboxylic acid anion that is the conjugate base of icas#1 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of 19-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An  oxo carboxylic acid anion that is the conjugate base of 5-(3-carboxy-3-oxoprop-1-en-1-yl)-4-hydroxy-6-oxo-1,6-dihydropyridine-2-carboxylic acid.


Dianion of UDP-4-amino-UDP-2,4-diacetamido-2,4,6-trideoxy-beta-L-altrose arising from deprotonation of the diphosphate; major species at pH 7.3.


pentachlorophenolate

A phenolate anion that is the conjugate base of pentachlorophenol; major species at pH 7.3.


Major microspecies at pH 7.3.


A phenolate anion resulting from the removal of a proton from one of the hydroxy groups of 1-(3,5-dichloro-2,6-dihydroxy-4-methoxyphenyl)hexan-1-one (DIF-1). The major structure at pH 7.3.


A hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 3-dehydroquinic acid.


A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups of (S)-malyl N-acetyl-alpha-D-glucosaminide; major species at pH 7.3.


An alpha-amino-acid anion that is the conjugate base of 3,5-diiodo-L-tyrosine.


A long-chain unsaturated fatty acid anion that is the conjugate base of (9S),10-epoxy-(10,12Z)-octadecadienoic acid, arising from deprotonation of the carboxylic acid group.


alpha-linolenate

A linolenate that is the conjugate base of alpha-linolenic acid, arising from deprotonation of the carboxylic acid group.


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


A docosanoid anion that is the conjugate base of (10R,17S)-dihydroxy-(7Z,11E,13E,15Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (+)-DCA-CC; major species at pH 7.3.


A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy group of any diastereomer of 4,5-didehydrojasmonic acid; major species at pH 7.3.


1D-myo-inositol 4-phosphate(2-)

Dianion of 1D-myo-inositol 4-phosphate.


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


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


7-hydroxybacteriochlorophyllide c(1-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any 7-hydroxybacteriochlorophyllide c; major species at pH 7.3.


andrastin E(1-)

An enolate anion resulting from the deprotonation of the enol group of andrastin E. Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029


(-)-usnic acid(2-)

Dianion of (-)-usnic acid.


An alpha-D-Glc-(1->2)-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 methyl-branched fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (R)-2-hydroxy-4-methylpentanoyl-CoA; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (7,8-dihydropterin-6-yl)methyl diphosphate.


An octatriacontapentaenoate that is the conjugate base of (20Z,23Z,26Z,29Z,32Z)-octatriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An omega-hydroxy-long-chain fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-16-hydroxyhexadec-9-enoic acid. The major species at pH 7.3.


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


glycocholate 7-sulfate(2-)

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


An alpha-amino-acid anion that is the conjugate base of (4R)-4-methyl-L-glutamic acid resulting from the deprotonation of the alpha-carboxy group. It is a potent agonist of the kainate receptors GluK1 and GluK2.


An NDP-alpha-D-glucose(2-) arising from deprotonation of the diphosphate OH groups of UDP-D-glucose; major species at pH 7.3.


A carbohydrate acid derivative anion arising  from deprotonation of the carboxy group of GlcNAc-1,6-anhMurNAc; major species at pH 7.3.


An organic anion that is the conjugate base of losartan, obtained from the deprotonation of the tetrazole NH group. Major species at pH 7.3.


prenyl phosphate(2-)

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


Conjugate base of (3Z,5S)-3-(1-hydroxyethylidene)-5-{[4-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]methyl}pyrrolidine-2,4-dione arising from deprotonation of the enolic hydroxy group; major species at pH 7.3.


oxa fatty acid anion

Any fatty acid anion in which oxygen replaces carbon as the divalent group -O- for the group -CH2.


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


An unsaturated fatty acid anion that is the conjugate base of 8-KETE, obtained by deprotonation of the carboxy group.


caffeic acid 3-sulfate(2-)

A phenyl sulfate oxoanion obtained by deprotonation of the sulfo and carboxy groups of caffeic acid 3-sulfate; major species at pH 7.3.


tetradecenoate

A fatty acid anion containing 14 carbons and 1 double bond. Major species at pH 7.3.


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


Conjugated base of chebi:32333


A 2,3-trans-enoyl CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of trans-2-octadecenoyl-CoA; major species at pH 7.3.


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


Dianion of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate.


1,3-dimethylurate anion

An organic anion obtained by removal of at least one proton from 1,3-dimethyluric acid.


beta-muricholate

A bile acid anion resulting from deprotonation of the carboxy group of beta-muricholic acid (i.e. the conjugate base of beta-muricholic acid). It is the major species at pH 7.3.


D-mannosyl undecaprenyl phosphate(1-)

Conjugate base of D-mannosyl undecaprenyl phosphate.


UDP-L-iduronic acid

A UDP-sugar in which the sugar component is L-iduronic acid.


The arenesulfonate that is the dianion formed by proton loss from each of the sulfo groups in 2,2'-disulfoazobenzene; major microspecies at pH 7.3.


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

A D-glucopyranose 6-phosphate(2-) obtaned by deprotonation of the phosphate OH groups of alpha-D-glucose 6-phosphate; major species at pH 7.3.


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


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


2-epi-5-epi-valiolone 7-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-epi-5-epi-valiolone 7-phosphate; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphate; major species at pH 7.3.


An organophosphonate oxoanion resulting from the removal of two protons from the phosphonic acid group of 1-aminocyclopropylphosphonic acid.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose, arising from deprotonation of the diphosphate group and protonation of the amino group.


An organosulfonate oxoanion arising from deprotonation of the sulfo and carboxy groups of 3-sulfolactic acid.


An organic anion that is the conjugate base of dolutegravir, obtained by deptotonation of the 7-hydroxy group.


hexatriacontapentaenoate

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


marinolate C

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


An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide. It is the major species at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of UDP-N-acetyl-6-(alpha-D-galactose-1-phosphonato)-alpha-D-glucosamine; major species at pH 7.3.


Dianion of GDP-L-fucose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


Major microspecies at pH 7.3.


A glycerophosphoglycerol(1-) obtained by deprotonation of the phosphate OH group of sn-glycero-3-phosphoglycerol; major species at pH 7.3.


N-acetyl-D-muramoyl-L-alaninate

The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-D-muramoyl-L-alanine; principal microspecies at pH 7.3.


An aspartate(1-) that is the conjugate base of D-aspartic acid.


Ins-1-P-Cer C 42:0(1-)

An Ins-1-P-Cer-C(1-) in which the acyl group and the ceramide base contain a total of 42 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and the ceramide base hydroxylated at position 4.


A 5-oxo 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.


1D-myo-inositol 1,3,4-trisphosphate(6-)

The hexaanion of 1D-myo-inositol 1,3,4-trisphosphate.


N-acetylmuramate 6-phosphate

An organophosphate oxoanion that is a trianion arising from deprotonation of the phosphate and carboxylic acid functions of N-acetylmuramic acid 6-phosphate.


Conjugate base of 3-oxo-3-ureidopropanoic acid.


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


An organophosphate oxoanion resulting from the deprotonation of both of the phosphate groups of alpha-mannosyl-diphosphorylinositol ceramide. The major species at pH 7.3.


heparan sulfate polyanion

A carbohydrate acid derivative anion that is a polyanionic form of heparan sulfate arising from global deprotonation of the carboxy and N-sulfo groups; major species at pH 7.3.


cardiolipin 72:6(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 6 double bonds.


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


A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of cidofovir. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organophosphate oxoanion obtained by deprotonation of the sulfanylcarbonyl and phosphate OH groups of 1-(5-O-phosphono-beta-D-ribofuranosyl)-5-(sulfanylcarbonyl)pyridinium-3-carbonyl adenylate; major species at pH 7.3.


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

Dianion of beta-L-fucose 1-phosphate.


ketomycolate type-3 (XIII')

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


Major microspecies at pH 7.3


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


D-glucose 6-sulfate(1-)

Conjugate base of D-glucose 6-sulfate; major species at pH 7.3.


A steroid acid anion that has a carboxylate group located at the 4alpha-position together with a hydroxy substituent located at the 3beta-position. Major microspecies at pH 7.4.


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


An acyl-CoA(4-) that is the tetraanion of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA, arising from deprotonation of phosphate and diphosphate functions.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA; major species at pH 7.3.


phosphatidylinositol 34:0(1-)

A 1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 0 double bonds.


Alexa Fluor 488 meta-isomer(2-)

The dianion of Alexa Fluor 488 meta-isomer.


Conjugate base of GDP-alpha-D-mannose arising from deprotonation of both free OH groups of the diphosphate.


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


A 2-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 2-hydroxygondoic acid; major species at pH 7.3.


A monocarboxylic acid anion resulting from the removal of the from from the carboxy group of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid.


A monocarboxylic acid anion that is the conjugate base of 3-phenylpropionic acid, obtained by deprotonation of the carboxy group.


A monocarboxylic acid anion resulting from the deprotonation of the carboxyl group of indole-3-carboxylic acid.


A vaccenate(1-) that is the conjugate base of cis-vaccenic acid, arising from deprotonation of the carboxylic acid group.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#20, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An D-alpha-amino acid anion  arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine.


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 5-hydroxy groups of aklanonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A phosphatidylserine 36:2 that is the conjugate base of 1,2-dioleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


An organophosphate oxoanion obtained by deprotonation of two of the three diphosphate OH groups of adenosine 5'-diphosphate.


The anion of (R)-2-hydroxynonanoic acid.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the acyl group at position 2 is hexadecenoyl (position of double bond not specified).


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) obtained by deprotonation of the sulfo group of N-(2-hydroxybehenoyl)-(3-O-sulfo-D-galactosyl)sphingosine; major species at pH 7.3.


sebacate

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


A phenolate anion resulting from the deprotonation of the hydroxy group that is ortho to the nitro group of 4-methyl-3-nitrocatechol; the major microspecies at pH 7.3.


3-oxoisoapionate 4-phosphate(2-)

Major microspecies at pH 7.3


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z)-18-hydroxyoctadecenoyl-CoA; major species at pH 7.3.


cannabidiolate

A dihydroxybenzoate that is the conjugate base of cannabidiolic acid, obtained by deprotonation of the carboxy group.


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


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

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


trimethylbenzoate

A benzoate obtained by deprotonation of the carboxy group of any trimethylbenzoic acid.


A dicarboxylic acid monoanion obtained by removal of a proton from one of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucaric acid.


diamino acid anion

An  organic anion that is the conjugate base of diamino acid.


isoeugenol sulfate(1-)

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


A cyclic tetrapyrrole anion that is obtained from any 7,7-dihydroxybacteriochlorophyllide c via deprotonation of the carboxy group; major species at pH 7.3.


alpha-D-galactosamine 1-phosphate(1-)

An organophosphate oxoanion resulting from the deprotonation of the phosphate group of alpha-D-galactosamine 1-phosphate zwitterion. The major species at pH 7.3.


The conjugate base of a 2-acylglycero-3-phospho-L-serine compound. Major species at pH 7.3.


Dicarboxylate anion of 15,16-dihydrobiliverdin; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 5beta-androstane-3alpha,17alpha-diol-11-one-17beta-carboxylate 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.


nocardicin A(2-)

A dicarboxylic acid dianion that is the major structure of isonocardicin A at pH 7.3 (according to Marvin v 6.2.0.).


hydroxypyruvaldehyde phosphate(2-)

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


A hydroxy monocarboxylic acid anion that is the conjugate base of 2-(beta-D-glucosyl)oxy-cis-cinnamic acid; major species ar pH 7.3.


An Ins-1-P-6-Man-1-6-Ins-1-P-Cer B/B'(2-) in which the acyl group and the ceramide base contain a total of 42 carbons and 0 double bonds, with either the acyl group hydroxylated at position 2 or the ceramide base hydroxylated at position 4.


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


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose; major species at pH 7.3.


oleanolate

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


18-oxoresolvin E1(1-)

An icosanoid anion resulting from the removal of a proton from the carboxy group of 18-oxoresolvin E1; major species at pH 7.3.


N-acetylanthranilate

An amidobenzoate consisting of anthranilate carrying an N-acetyl group.


arsonoacetic acid anion

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


Major microspecies at pH 7.3.


A carbohydrate acid anion that results from the deprotonation of the carboxylic acid group of beta-D-Delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-beta-D-Glcp. The major species at pH 7.3.


A 2'-deoxyribonucleoside triphosphate oxoanion arising from deprotonation of three of the four triphosphate OH groups of 2'-deoxyuridine 5'-triphosphate.


An inositol phosphomannosyl-1->6-inositol-1-phosphophytoceramide obtained by deprotonation of the free phosphate OH group of inositol phosphomannosyl-1->6-inositol-1-phospho-N-acylicosaphytosphingosine; major species at pH 7.3.


hyaluronate

A carbohydrate acid derivative anion obtained by deprotonation of the carboxy groups of hyaluronic acid; major species at pH 7.3.


methoxymycolate type-3 (IX)

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


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


p-aminohippurate

A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.


The hydroperoxy fatty acid anion that is the conjugate base of hydroperoxy fatty acid anion, formed by deprotonation of the carboxy group; principal microspecies at pH 7.3.


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


N-acyl-L-homoserinate

The L-stereoisomer of N-acylhomoserinate.


cardiolipin 64:4(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 64 carbons and 4 double bonds.


A 2,3-trans-enoyl CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (E)-isoheptadec-2-enoyl-CoA.


A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E)-geranylgeranic acid; major species at pH 7.3.


The conjugate base of trans-beta-D-glucosyl-2-hydroxycinnamic acid; major species at pH 7.3.


An octadecenoate that is the conjugate base of (13Z)-octadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of carboxylic acid and phosphate functions of (R)-5-diphosphomevalonic acid.


1-palmitoylglycerone 3-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerone 3-phosphate; major species at pH 7.3.


1-palmitoylglycerol 3-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-palmitoylglycerol 3-phosphate; major species at pH 7.3.


The monocarboxylic acid anion formed by loss of a proton from the carboxy group of L-rhamnosyl-3-hydroxydecanoyl-3-hydroxydecanoic acid; principal microspecies at pH 7.3.


N-oleoyl-L-glutaminate

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


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


D-alpha-amino acid anion

Any alpha-amino acid anion in which the parent amino acid has D-configuration.


A dicarboxylic acid dianion arising from deprotonation of both carboxylic acid groups of (6S)-5-formyltetrahydrofolic acid.


N-propanoyl-L-methioninate

An N-(fatty acyl)-L-alpha-amino acid anion that is the conjugate base of N-propanoyl-L-methionine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


precursor Z(1-)

The anion resulting from the removal of the proton from the phosphate group of precursor Z.


The conjugate base of a 1-phosphatidyl-1D-myo-inositol; major species at pH 7.3.


adenosine 5'-pentaphosphate(6-)

An organophosphate oxoanion resulting from the removal of all six protons from the phosphate groups of adenosine 5'-pentaphosphate; the major species at pH 7.3.


The monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (9Z,11R,12Z,15Z)-11-hydroperoxyoctadecatrienoic acid. Major microspecies at pH 7.3.


cis,cis-muconate

A muconate that is the conjugate base of (2Z,4Z)-5-carboxypenta-2,4-dienoate.


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


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


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


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


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of TDP-alpha-D-glucose. Major microspecies at pH 7.3.


A cardiolipin where one of the acyl chains is the oxidized fatty acyl chain  9-hydroxy-(10E,12Z)-octadecadienoyl and the other 3 are not defined.


Dianionic form of mugineic acid.


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


sulfonatoacetate

An organosulfonate oxoanion that is the dianion of sulfoacetic acid arising from deprotonation of carboxylic acid and sulfo groups.


A mannosylinositol phosphorylceramide(1-) obtained by deprotonation of the phosphate OH group of any Man-1-6-Ins-1-P-Cer(d20:0); major species at pH 7.3.


name: omega-methyl-ultra-long-chain fatty acid anion


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


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


thiamine(1+) triphosphate(4-)

Trianion of thiamine(1+) diphosphate arising from deprotonation of the four OH groups of the triphosphate.


all-trans-hexaprenyl diphosphate(3-)

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


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


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z,10Z,13Z,16Z,19Z)-3-oxodocosapentaenoyl-CoA.


tetratriacontapentaenoate

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


A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.


ursodeoxycholate

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


phosphatidylserine 44:2(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 2 double bonds.


The (E)-isomer of glutaconate(2-).


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


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

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


An icosanoid anion that is the conjugate base of (5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3


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


etiocholanolone 3-glucuronide(1-)

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


Major species at pH 7.3


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


Pontamine sky blue 5B(4-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Pontamine sky blue 5B (acid form).


The x-ref from CHEBI:132253 to MetaCyc CPD-17068 is wrong


An anionic phospholipid obtained by deprotonation of both free phosphate OH groups of any 2,2'-dilysocardiolipin.


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


N-oleoyl-L-phenylalaninate

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


The conjugate base of 4-O-feruloyl-D-quinic acid; major species at pH 7.3.


N-acylneuraminate 9-phosphate(3-)

Dianion of an N-acylneuraminic acid 9-phosphate arising from deprotonation of the acidic OH groups of the carboxylic acid and phosphate functions.


The hydroxy monocarboxylic acid anion that is the conjugate base of 3-(imidazol-5-yl)lactic acid.


all-cis-polyprenol phosphate(2-)

Major structure at pH 7.3 of all-cis-polyprenyl phosphate.


The carbohydrate acid derivative anion formed from beta-D-GlcA3S-(1->3)-beta-D-Gal-OC6H4-4-OMe by loss of two protons, one from each of its sulfo and carboxy groups.


The trianion of a 1-phosphatidyl-1D-myo-inositol 3-phosphate; major species at pH 7.3.


A saturated acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of heptanoyl-CoA; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (8Z,11Z)-eicosadienoyl-CoA; major species at pH 7.3.


An organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


phosphonatoenolpyruvate

An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of phosphoenolpyruvic acid.


oxalurate

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


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


An organic anion that is the conjugate base of 11-oxomiltiradiene, arising from the deprotonation of the methylene group at position 14. Major species at pH 7.3.


trans,trans-muconate

A muconate that is the dianion obtained by the deprotonation of both the carboxy groups of trans,trans-muconic acid.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 2-dehydro-3,6-dideoxy-6-sulfo-D-gluconnic acid; major species at pH 7.3.


resolvin T4(1-)

A docosanoid anion that is the conjugate base of resolvin T4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A phenolate anion obtained by deprotonation of one of the two ortho-hydroxy groups of 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-acetyl-D-mannosamine 6-phosphate(2-)

An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of N-acetyl-D-mannosamine 6-phosphate.


A 2-isopropylmalate(2-) with S-configuration at the chiral centre.


Dianion of a 1-alkyl-2-acetyl-sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups.


A 2-hydroxyoctadecanoate that has R configuration. The conjugate base of (R)-2-hydroxyoctadecanoic acid.


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


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 1-acyl-sn-glycero-3-phosphoglycerol.


An organic phosphoramidate anion obtained by deprotonation of the phosphoramidate and carboxy groups as well as protonation of the amino group of N(5)-phospho-L-glutamine; major species at pH 7.3.


mellitic acid hexaanion

The hexacarboxylate anion of mellitic acid.


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


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-3-dehydro-4,6-dideoxy-alpha-D-glucose; major species at pH 7.3.


prenylcysteinate

A sulfur-containing amino-acid anion which is a conjugate base of prenylcysteine.


A monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (E)-hept-2-enoic acid. The major species at pH 7.3.


red chlorophyll catabolite(2-)

Dianion of red chlorophyll catabolite.


A cyclic tetrapyrrole anion that is that carbide ion obtained from geranylgeranyl bacteriochlorophyllide a via removal of the acidic proton at position 21. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


ent-copal-8-ol diphosphate(3-)

An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of ent-copal-8-ol diphosphate; major species at pH 7.3.


lysophosphatidylinositol 18:1(1-)

A lysophosphatidyl-1D-myo-inositol(1-) in which the remaining acyl group (position not specified) contains 18 carbons and 1 double bond.


An Ins-1-P-6-Man-1-6-Ins-1-P-Cer C(2-) in which the acyl group and the ceramide base contain a total of 42 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and the ceramide base hydroxylated at position 4.


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of N-acyl-15-methylhexadecasphing-4-enine-1-phosphate; major species at pH 7.3.


N-acylneuraminate

A sialic acid anion arising from deprotonation of the carboxy group of an N-acylneuraminic acid; major species at pH 7.3.


An organophosphonate oxoanion that is the conjugate base of (S)-(1-aminoethyl)phosphonic acid, obtained by deprotonation of the phosphonate OH groups and protonation of the amino group. Major microspecies at pH 7.3.


2'-deoxyinosine 5'-diphosphate(3-)

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


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


A organophosphonate oxoanion obtained by removal of a proton from the phosphonate group of adefovir, a nucleoside reverse transcriptase inhibitor. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


cyclic ADP-beta-D-ribose(2-)

A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of cyclic ADP-beta-D-ribose.


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


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


The conjugate base of 2-oxosuccinamic acid; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (13Z)-icosenoyl-CoA; major species at pH 7.3.


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


Dicarboxylate anion of phycourobilin; major species at pH 7.3.


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


A dicarboxylic acid dianion arising from deprotonation of the carboxy groups of 4-carboxy-2-hydroxy-cis,cis-muconic acid 6-semialdehyde; major species at pH 7.3.


The conjugate base of cis-4-hydroxycyclohexane-1-carboxylic acid; major species at pH 7.3.


A 2-hydroxy fatty acid anion with a chain that is composed of 25 carbons and 1 double bond (position unspecified).


A 1-acyl-sn-glycero-3-phosphate(2-) in which the acyl group is specified as caproyl (hexanoyl).


acyl monophosphate(1-)

The monoanion of an acyl monophosphate compound arising from deprotonation of one of the phosphate OH groups.


A nucleoside 5'-diphosphate(3-) arising from deprotonation of all three OH groups of the diphosphate function of of inosine 5'-diphosphate (IDP); major species at pH 7.3.


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


homoserinate

An alpha-amino-acid anion resulting from the removal of a proton from the carboxy group of homoserine.


A singly-charged anionic phospholipid that is the conjugate base of 1,2-diacyl-sn-glycero-3-phosphoserine, in which the carboxy and phosphate groups are anionic and the amino group is cationic; major species at pH 7.3.


A phosphatidylserine 36:4 that is the conjugate base of 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


An organic anion that is the conjugate base of genistein, obtained by selective deprotonation of the 7-hydroxy group.


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


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3,3'-azobis(6-hydroxybenzoic acid) (olsalazine).


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

The conjugate base of isovitexin 2''-O-beta-D-glucoside arising from selective deprotonation of 6-hydroxy group; major species at pH 7.3.


A phenolate anion that is the conjugate base of enterobactin, obtained by deprotonation of one of the phenolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


omega-hydroxytetracosanoate

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


A hydroxy fatty acid anion that is the conjugate base of (9Z,12R)-12,18-dihydroxyoctadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


lactate

A hydroxy monocarboxylic acid anion that is the conjugate base of lactic acid, arising from deprotonation of the carboxy group.


A 2-oxo monocarboxylic acid anion that is the conjugate base of (4-bromophenylsulfanyl)pyruvic acid, arising from deprotonation of the carboxy group.


A hydroxy saturated fatty acid anion resulting from the deprotonation of the carboxy group of 10-hydroxyoctadecanoic acid.


monohydroxybenzoate

A hydroxybenzoate carrying a single hydroxy substituent at unspecified position.


sphinganine 1-phosphate

The anion resulting from the addition of a proton to the amino group and the removal of the two acidic protons from the phosphate group of sphinganine 1-phosphate.


vernolate

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


The ammonium ion resulting from addition of a proton to the nitrogen of deacetylisoipecoside.


An ionic phospholipid that is the conjugate base of 1-archaetidyl-D-myo-inositol, obtained by deprotonation of the phosphate OH group.


all-trans-retinoate

A retinoate that is the conjugate base of all-trans-retinoic acid.


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


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


a lipid A(4-)

Major species at pH 7.3


lipoxin B4(1-)

A hydroxy fatty acid anion obtained by the deprotonation of the carboxy group of lipoxin B4: major species at pH 7.3.


Trianion of (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid arising from deprotonation of carboxylic acid and phosphate functions.


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


andrastin D(1-)

An enolate anion resulting from the deprotonation of the enol of andrastin D.Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029


A hydroxy polyunsaturated fatty acid anion that is the conjugate base of (4Z,7E,9E,11E,13Z,15E,17S,19Z)-7,8-epoxy-17-hydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#29, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The anion of 2-oxononanoic acid.


A GDP-D-glucose(2-) having alpha-configuration at the anomeric centre.


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


Dicarboxylate anion of (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.


phosphatidylinositol 40:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 40 carbons in total and 0 double bonds.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA.


poly(glycerol phosphate) anion

A polyanionic polymer obtained by global deprotonation of the phosphate OH groups of poly(glycerol phosphate).


A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu.


A hydroxy monocarboxylic acid anion that is the conjugate base of Delta(9)-tetrahydrocannabinolic acid, obtained by deprotonation of the carboxy group.


phosphatidylinositol 38:6(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 38 carbons in total and 6 double bonds.


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

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


Tetraanion of UDP-N-acetyl-D-galactosamine 4,6-bissulfate arising from deprotonation of diphosphate and sulfate groups; major species at pH 7.3.


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


A mannosylinositol phosphorylceramide(1-) having a tetracosanoyl group attached to the ceramide nitrogen, with no hydroxylation at C-4 of the long-chain base or on the very-long-chain fatty acid.


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


A hydroxy fatty acid anion that is the conjugate base of (14Z,17Z,20Z,23Z,26Z)-2-hydroxydotriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


saturated fatty acid anion

Any fatty acid anion in which there is no C-C unsaturation.


ferulic acid 4-sulfate anion

An organic anion obtained by deprotonation of at least one of the acidic functions of ferulic acid 4-sulfate.


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z)-3-oxotetracosatetraenoyl-CoA.


A doubly-charged organophosphate oxoanion resulting from the removal of two protons from the diphosphate group of alpha-D-rhamnosyl-(1->2)-alpha-D-rhamnosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate


A doubly-charged sulfonatobenzoate consisting of benzoate having a sufonato group at the 4-position.


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


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any 2-(omega-methylthio)alkylmalic acid; major species at pH 7.3.


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


4-saturated trans-2-enoyl-CoA(4-)

Any 2,3-trans-enoyl CoA(4-) that is also saturated at position 4.


rebaudioside B(1-)

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


A hydroxy fatty acid anion that is the conjugate base of 2-(hydroxymethyl)butanoic acid.


Trianion of 6-phospho-5-dehydro-2-deoxy-D-gluconic acid arising from deprotonation of the carboxy and phosphate groups; major species at pH 7.3.


7-demethylmitomycin A(1-)

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


A CDP-4-dehydro-6-deoxy-D-glucose(2-) in which the anomeric centre of the deoxyglucose fragment has alpha-configuration.


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


eoxin A4(1-)

A polyunsaturated fatty acid anion that is the conjugate base of eoxin A4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An aminobenzoate that results from the removal of a proton from the carboxylic acid group of 3-methoxyanthranilic acid.


An (S)-3-hydroxyacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (3S,6Z,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosahexaenoyl-CoA; major species at pH 7.3.


2-thiocytidine 5'-monophosphate(2-)

A 2-thiocytidine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.


The conjugate base of 1-guanidino-1-deoxy-scyllo-inositol 4-phosphate having a dianionic phosphate group and a protonated guanidine; major species at pH 7.3.


maltose 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of maltose 1-phosphate; major species at pH 7.3.


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


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


Decaanion of 1D-myo-inositol 1,2,4,5,6-pentakisphosphate arising from global deprotonation of the phosphate OH groups; major species at pH 7.3.


A 3-sulfopropanediol(1-) that has S-configuration.


A (3E,5Z)-dienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (3E,5Z)-dodecadienoyl-CoA; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of (S)-3-hydroxy-2-oxo-3-phenylpropanoic acid, obtained by deprotonation of the carboxy group.


A docosanoid anion that is the conjugate base of 7,17-dihydroxy-(8Z,15E,19Z)-docosa-8,10,13,15,19-pentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cuevaene A(1-)

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


Major microspecies at pH 7.3


A hydroxy fatty acid anion that is the conjugate base of 26-hydroxyhexacosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#30, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cardiolipin 70:6(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 70 carbons and 6 double bonds.


A dTDP-4-amino-4,6-dideoxy-D-glucose(1-) in which the anomeric centre of the pyranose fragment has alpha-configuration.


A docosanoid anion that is the conjugate base of 7,8-epoxy,17-hydroxy-(9E,11E,13Z,15E,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N-hexacosanoylglycinate

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


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA.


A dicarboxylic acid monoanion that is the conjugate base of cis,cis-muconic acid.


An organophosphate oxoanion obtained by deprotonation of the two diphosphate OH groups of alpha-NAD(1+); major species at pH 7.3.


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


lynenic acid anion

A docosatetraenoate that is the conjugate base of lynenic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A dicarboxylic acid dianion that results from the removal of a proton from both of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.


cardiolipin 60:2(2-)

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


Conjugate base of 2-aminobut-2-enoic acid.


dodecenoate

A medium-chain fatty acid anion that is the conjugate base of dodecenoic acid.


A phosphatidylserine 36:3 that is the conjugate base of 1-oleoyl-2-linoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


lysophosphatidylinositol 26:0(1-)

A lysophosphatidyl-1D-myo-inositol(1-) in which the remaining acyl group (position not specified) contains 26 carbons and 0 double bonds.


phosphatidylinositol 22:2(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two acyl groups contain a total of 22 carbons and 2 double bonds.


name: primary fluorescent chlorophyll catabolite(1-)

description: A monocarboxylic acid anion that is the conjugate base of  primary fluorescent chlorophyll catabolite resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


(KDO)2-(palmitoleoyl)-lipid IVA(6-)

A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of (KDO)2-(palmitoleoyl)-lipid IVA; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of IV3NeuAc-nLc4Cer; major species at pH 7.3.


(S)-dihydrocamalexate

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


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


trichloroacetate

A monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of trichloroacetic acid.


lysophosphatidylserine 14:0(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 14 carbons and 0 double bonds.


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


An alpha-amino-acid anion that is the conjugate base of 2-amino-5-oxohexanoic acid.


lipid II(3-)

The organophosphate oxoanion of overall charge -3 formed from lipid II [undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-gamma-glutamyl-L-lysyl-D-alanyl-D-alanine] at pH 7.3.


hydroxy fatty acid anion 20:0

Any hydroxy saturated fatty acid anion containing 20 carbons.


epoxypheophorbide a(2-)

A cyclic tetrapyrrole anion obtained by removal of two protons from the carboxy and acidic methylene groups of epoxypheophorbide a.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 1-alkyl-sn-glycero-3-phospho-N-acylethanolamine; major species at pH 7.3.


A 3-oxoacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 3-oxoicosanoyl-CoA: major species at pH 7.3.


An acyl-CoA(4-) species arising from deprotonation of the phosphate and diphosphate OH groups of 2-amino-5-oxocyclohex-1-enecarbonyl-CoA; major species at pH 7.3.


A 4-oxo monocarboxylic acid anion that is the conjugate base of [(R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of 14(S)-HPDHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of 7-carboxy-7-deazaguanine. The major form of 7-carboxy-7-deazaguanine at pH 7.3.


guanosine 3',5'-bis(diphosphate)(6-)

An organophosphate oxoanion arising from deprotonation of the six diphosphate OH groups of guanosine 3',5'-bis(diphosphate); major species at pH 7.3.


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


sodium green(4-)

The tetracation of sodium green, a fluorescent dye.


A butenoate having the double bond at the 3-position.


Octaanion of myo-inositol 1,3,4,6-tetrakisphosphate arising from global deprotonation of the phosphate OH groups; major species at pH 7.3.


A monocarboxylic acid anion that is conjugate base of ascr#9 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


The dianion resulting from the removal of two protons from the diphosphate group of N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate.


L-lysinate

An optically active form of lysinate having L-configuration.


A hydroperoxyicosatrienoate that is the conjugate base of (8R,9E,11Z,14Z)-8-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


coenzyme gamma-F420-2(4-)

The tetra-anion obtained by removing protons from the phosphate and carboxylic acid groups of coenzyme gamma-F420-2.


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

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


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


An L-alpha-amino acid anion resulting from deprotonation of the carboxy groups and protonation of the amino group of 4-hydroxy-L-glutamic acid


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


cardiolipin 62:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 62 carbons and 3 double bonds.


An hepoxilin anion that is the conjugate base of 11(S)-hydroxy-14(S),15(S)-hepoxilin A3, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


Trianion of 4-phospho-D-erythronic acid arising from deprotonation of phosphate and carboxylic acid functions.


(2S)-2-hydroxy-3-oxobutyl phosphate(2-)

The dianion resulting from the removal of the two acidic protons from the phosphate group of (2S)-2-hydroxy-3-oxobutyl phosphate.


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,10Z,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosahexaenoyl-CoA; major species at pH 7.3.


The conjugate base of but-2-enoic acid.


An acyl-CoA oxoanion obtained from (R)-carnitinyl-CoA betaine in which three protons have been removed from the phosphate groups.


A organic anion that is the conjugate base of 3,6-dichloropyridine-2,5-diol, resulting from the deprotonation of the 5-hydroxy group.


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


An organic sulfur anion obtained by deprotonation of the sulfanyl group of (E)-2-(indol-3-yl)-1-thioacetohydroximic acid; major species at pH 7.3.


methyl red(1-)

A benzoate that is the conjugate base of methyl red, obtained by deprotonation of the carboxy group.


glutaramate

A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of glutaramic acid.


A doubly-charged N-acyl-D-alpha-amino acid anion resulting from removal of protons from both carboxy groups of any N-acyl-D-glutamic acid.


Dicarboxylate anion of protoporphyrinogen.


An epoxy(hydroxy)icosatrienoate that is the conjugate base of (10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoic acid, obtained by deprotonation of the carboxy group.


An alkyl,acylglycero-3-phosphoserine(1-) in which an unspecified alkyl group is located at position sn-1 or sn-3 and an unspecified acyl group is located at position sn-2.


behenate

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


A C80 alpha-mycolate having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


Conjugate base of 5-methyldeoxycytidine 5'-(trihydrogen diphosphate).


An aminobenzoate that is the conjugate base of 3-amino-2,4-dihydroxybenzoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#38. The conjugate base of oscr#38 and the major species at pH 7.3.


lamellarin alpha 20-sulfate(1-)

An organosulfate oxoanion that is the conjugate base of lamellarin alpha 20-hydrogen sulfate.


Conjugate base of (3S)-3-hydroxy-L-aspartic acid.


A tricarboxylic acid trianion that is the  conjugate base of 2-methylcitric acid.


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


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


D-galactonate

A galactonate compound having D-configuration.


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


succinamate

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


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


An organic anion obtained by selective deprotonation of the 2-hydroxy group of (2S)-versicolorone.


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


A hydroxy monocarboxylic acid anion that is the conjugate base of (S)-2-hydroxybutyric acid, obtained by decarboxylation of the carboxy group.


A 18-HETE(1-) that is the conjugate base of 18(R)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 3-hydroxyisovaleryl-CoA. Major species at pH 7.3.


Conjugate base of thiosalicylic acid.


A steroid acid anion that is the conjugate base of 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dien-22-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-alpha-D-fucofuranose; 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-methylundecanoyl-CoA; major species at pH 7.3.


lipoxin anion

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


A member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3.


phosphatidylserine O-44:5(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 44 carbons and 5 double bonds.


An indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid.


A long-chain fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 12-methyltridecanoyl-CoA; major species at pH 7.3


pentalenolactone F(1-)

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


An hydroxy saturated fatty acid anion that is the conjugate base of 5-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A (2R)-2-hydroxy monocarboxylic acid anion that is the conjugate base of (2R)-3-(3,4-dihydroxyphenyl)lactic acid, obtained by deprotonation of the carboxy group.


A fatty acid-taurine conjugate(1-) obtained by deprotonation of the sulfo group of N-docosanoyltaurine; major species at pH 7.3.


A 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the 2-acyl group is specified as linoleoyl.


An oxo fatty acid anion that is the conjugate base of 22-ketodocosanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


glyceraldehyde 3-phosphate(2-)

An organophosphate oxoanion taht is the dianion of glyceraldehyde 3-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


A 13-HODE(1-) that is the conjugate base of 13(R)-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dimethylbenzoate in which the two methyl groups are located at positions 2 and 5.


oxime anion

A organic ion resulting from the deprotonation of the hydroxy group of any oxime.


17beta-estradiol 3-sulfate(1-)

A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of 17beta-estradiol 3-sulfate; major species at pH 7.3.


An organosulfonate oxoanion obtained by deprotonation of the sulfo and hydroxyimino groups of 5-(hydroxyimino)-6-oxo-5,6-dihydronaphthalene-2-sulfonic acid.


A ganglioside GM1/1b(1-) obtained by deprotonation of the neuraminosyl carboxy group of alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; major species at pH 7.3.


valienone 7-phosphate(2-)

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


Dianion of S-methyl-5-thio-alpha-D-ribose 1-phosphate.


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


lucifer yellow carbohydrazide dye(2-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 6-amino-2-[(hydrazinocarbonyl)amino]-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-5,8-disulfonic acid.


bromosuccinate

A dicarboxylic acid dianion obtained by deprotonation of the two carboxy goups of bromosuccinic acid.


eugenol sulfate(1-)

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


2,3-dihydrobiochanin A(1-)

Conjugate base of 2,3-dihydrobiochanin A arising from selective deprotonation of the 7-hydroxy group.


homocysteinate

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


Compound 6a in pmid:28240554


A nucleotide-sugar oxoanion obtained by deprotonation of the phosphate OH groups of any O-acyl-ADP-D-ribose; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the phosphate OH groups of dTDP-6-deoxy-L-talose; major species at pH 7.3.


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


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#10-CoA; major species at pH 7.3.


A isocitrate(3-) that is the conjugate base of D-erythro-isocitric acid.


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


An inositol phosphoceramide(1-) obtained by deprotonation of the free phosphate OH group of any inositol-1-phosphophytoceramide; major species at pH 7.3.


3,3'-O-dimethylmyricetin 7-olate

Major microspecies at pH 7.3.


N-formylmaleamate

The conjugate base of N-formylmaleamic acid arising from deprotonation of the carboxy group.


An N-acyllysophosphatidylethanolamine(1-) in which both the N- and O-acyl group are specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.


phosphatidylserine 26:0(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 26 carbons in total and 0 double bonds.


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxyoctanoyl-CoA.


The conjugate base of 3,5-dichlorohydroxybenzoic acid. Comprising a 3,5-dihydroxybenzoic acid core with the carboxylic acid proton missing, giving a charge of -1.


The 2-oxo monocarboxylic acid anion derived from 4-methylthio-2-oxobutanoic acid. The major microspecies at pH 7.3, it is formed from L-methionine via the action of methionine transaminase.


An N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy and phosphate OH groups of N-acetyl-L-2-aminoadipic acid 6-phosphate; major species at pH 7.3.


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


nerylneryl diphosphate(3-)

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


An arenesulfonate that is the conjugate base of 4-(hydroxymethyl)benzenesulfonic acid, obtained by deprotonation of the sulfonic acid group.


An organophosphate oxoanion that is the conjugate base of guanylyl-(3'->5')-cytidine, obtained by deprotonation of the phosphate group.


A polyunsaturated fatty acid anion that is the conjugate base of (10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroid acid anion that is the conjugate base of Delta(4)-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


versicolorin B(1-)

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


1-lauroyl-sn-glycerol 3-phosphate(2-)

An anionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-lauroyl-sn-glycerol 3-phosphate.


octacosanoate

A straight-chain saturated fatty acid anion and the conjugate base of octacosanoic acid (montanic acid), arising from deprotonation of the carboxy group.


malate

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


sophoraflavanone B(1-)

Conjugate base of sophoraflavanone B arising from deprotonation of the 7-hydroxy group.


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


A 9,10-dihydroxystearate in which the chiral carbon atoms at positions 9 and 10 have the R-configuration


A peptide anion obtained by deprotonation of both carboxy groups and protonation of the aspartyl amino group of Asp-Met. Major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-galactosyl ditrans,octacis-undecaprenyl diphosphate; major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(5,8,10)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2-O-(beta-D-glucosyl)-sn-glycerol 3-phosphate; major species at pH 7.3.


D-psicose 6-phosphate(2-)

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


phosphatidylinositol 36:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 1 double bond.


Trianion of UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-L-lysine; major species at pH 7.3.


Dianion of N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide.


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


name: 3-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


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of 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.


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


An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3-phosphomevalonic acid; major species at pH 7.3.


phosphatidylinositol 36:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 0 double bonds.


A monohydroxybenzoate that is obtained by removal of a proton from the carboxylic acid group of 5-nitrosalicylic acid.


A hexadecenoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of palmitoleyl-CoA.


An organophosphonate oxoanion that is the conjugate base of [(1S)-1-acetamidoethyl]phosphonic acid, obtained by deprotonation of one of the phosphonate OH groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-Cer; major species at pH 7.3.


glycerol 2-phosphate(2-)

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


A monocarboxylic acid anion that is the conjugate base 3-nitroacrylic acid, formed by deprotonation of the carboxy group; major species at pH 7.3.


elaidate

A long-chain fatty acid anion that is the conjugate base of elaidic acid; shown to exert detrimental effects on mitochondrial lipid composition and function.


prednisolone succinate(1-)

A dicarboxylic acid monoester(1-) that is the conjugate base of prednisolone succinate resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoyl-CoA; major species at pH 7.3.


alkyl,acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which positions 1 and 2 are substituted by unspecified alk-1-enyl and acyl groups respectively.


cimicifugate D

Conjugate base of cimicifugic acid D; major microspecies at pH 7.3.


A methyl glycoside that is beta-D-Gal-(1->4)-[beta-D-Gal-(1->4)-beta-D-Glc-(1->6)]-beta-D-GlcNAc in which the CH2OH of the galactose within the trisaccharide chain is replaced by anionic carboxylate and the hydroxy group at the reducing-end anomeric centre is methylated.


fatty acid anion 22:0

Any saturated fatty acid anion containing 22 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fructosyllysinate

The glyco-amino-acid anion formed by loss of a proton from the carboxy group of fructosyllysine.


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


1D-myo-inositol 3,4-biphosphate(4-)

An inositol phosphate oxoanion obtained by deprotonation of the phospho groups of 1D-myo-inositol 3,4-biphosphate; major species at pH 7.3.


Major species at pH 7.3.


An enolate resulting from the deprotonation of the hydroxy group of 4-hydroxy-6-(pyridin-3-yl)-2H-pyran-2-one. Major species at pH 7.3.


1-pentadecylglycerone 3-phosphate(2-)

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


An iodobenzoate with a single iodo substituent placed at the 2-position.


An oxo dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2-chloro-3-oxoadipic acid. Major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA.


oxylipin anion

A carboxylic acid anion that is the conjugate base of an oxylipin (any member of the group of bioactive lipids made by oxidation of polyunsaturated fatty acids).


An optically active form of O(4)-phosphonatotyrosine(2-) having D-configuration.


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of (2R)-ethylmalonyl-CoA; major species at pH 7.3.


An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid.


sapienate

A long-chain unsaturated fatty acid anion that is the conjugate base of sapienic acid, obtained by deprotonation of the carboxy group.


A monocarboxylic acid anion that is the conjugate base of yersiniabactin, obtained from the deprotonation of the carboxy group. It is the major species at pH 7.3.


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


dihydroartemisinate

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


A tetracosapentaenoate that is the conjugate base of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


gibberellin A12 aldehyde(1-)

Conjugate base of gibberellin A12 aldehyde.


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


D-mannitol 1-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of D-mannitol.


A dTDP-4-amino-4,6-dideoxy-D-galactose(1-) in which the anomeric centre of the pyranose fragment has alpha-configuration.


A glycopeptide anion that is the conjugate base of tat-BP, arising from deprotonation of the three carboxy groups and protonation of the amino group; major species at pH 7.3.


decanoate

A fatty acid anion 10:0 that is the conjugate base of decanoic acid.


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


organophosphonate oxoanion

An organic phosphonic acid derivative in which one or more oxygen atoms of the phosphonate group(s) has been deprotonated.


A triply charged acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of gamma-butyrobetainyl-CoA.


phosphatidylserine 28:3(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 28 carbons in total and 3 double bonds.


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


An acyl-CoA(4-) resulting from the removal of all four protons from the phosphate and diphosphate groups of (25R)-3-oxocholest-4-en-26-oyl-CoA; major species at pH 7.3.


erythronate

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


phosphatidylinositol 40:2(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 40 carbons in total and 2 double bonds.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of 2-O-alpha-D-mannosyl-1-O-{1-O-[(10S)-10-methyloctadecanoyl]-2-O-palmitoyl-sn-glycero-3-phosphono}-5-O-palmitoyl-6-O-(6-O-palmitoyl-alpha-D-mannosyl)-1D-myo-inositol, obtained by deprotonation of the phosphate group.


mitomycin A(1-)

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


pyrroloquinoline quinol(3-)

Trianionic form of pyrroloquinoline quinol arising from deprotonation of the three carboxy groups.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#34-CoA; major species at pH 7.3.


A 2-monolysocardiolipin(2-) obtained by deprotonation of the phosphate OH groups of 1,1'-dilinoleoyl-2-oleoyl monolysocardiolipin; major species at pH 7.3.


A UDP-L-rhamnose(2-) in which the rhamnose portion has beta-configuration at its anomeric centre; the major form of UDP-beta-L-rhamnose at pH 7.3.


N-linoleoyl-L-alaninate

An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-linoleoyl-L-alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine O-34:2(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 34 carbons and 2 double bonds.


prostaglandin carboxylic acid anion

A prostanoid anion obtained by deprotonation of the carboxy group of any prostaglandin.


The conjugate base of a 1-acylglycero-3-phospho-L-serine compound. Major species at pH 7.3.


An organic anion resulting from the deprotonation of the carboxy group of urea-1-carboxylic acid.


An acyl-CoA oxoanion that results from the removal of all four protons from the phosphate groups of 4,8-dimethylnonanoyl-CoA. Major species at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-4-amino-3,4,6-trideoxy-alpha-D-threo-hex-3-enopyranose; major species at pH 7.3.


A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of N(6)-methyl-AMP.


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


A quinate that is the conjugate base of 1,3-dicaffeoylquinic acid.


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


The conjugate base of L-saccharopine arising from deprotonation of all three carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3.


2-cis,6-cis-farnesyl diphosphate(3-)

Trianion of 2-cis,6-cis-farnesyl diphosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


phosphatidylinositol 40:3(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two acyl groups at C-1 and C-2 contain a total of 40 carbons and 3 double bonds.


A docosanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of 16(S)-glutathionyl,17(R)-hydroxy-(4Z,7Z,10,12,14,19Z)-docosahexaenoic acid; major species at pH 7.3.


saturated fatty acyl-CoA(4-)

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


Ins-1-P-Cer D 42:0(1-)

An Ins-1-P-Cer D(1-) in which the acyl group and the ceramide base contain a total of 42 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and one other unspecified position, and the ceramide base hydroxylated at position 4.


N-linoleoyl-gamma-aminobutyrate

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


S-methylthio glutathione(1-)

An S-substituted glutathione(1-) resulting from the protonation of the primary amino group and the deprotonation of both of the carboxy groups of S-methylthio glutathione. The major microspecies at pH 7.3.


An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]alanine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)glutamic acid.


The dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of citraconic acid.


A hydroperoxyicosapentaenoate that is the conjugate base of (5S)-HpEPE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


phosphatidylinositol 32:2(1-)

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


decyl sulfate

An organosulfate oxoanion that is the conjugate base of decyl hydrogen sulfate. Isolated from Daphnia pulex, it induces morphological changes of phytoplankton Scenedesmus gutwinskii.


A benzoate resulting from the removal of a proton from the carboxylic acid group of 4-(beta-D-glucosyloxy)benzoic acid.


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


A tricarboxylic acid trianion that is the conjugate base of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid.


Major species at pH 7.3


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


The dianion obtained by removal of two protons from the phosphate group of D-glycero-D-manno-heptose 7-phosphate.


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


A hydroxybenzoate that is the conjugate base of 3-hydroxyanthranilic acid.


An optically active form of malate having (S)-configuration.


The ribonucleoside monophosphate oxoanion that is 5-methyl-CMP protonated to pH 7.3.


lysophosphatidylserine 18:2(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 18 carbons and 2 double bonds.


An anionic phospholipid obtained by deprotonation of the phospho group of any alkylacylglycero-3-phosphoglycerol. Major species at pH 7.3.


An anionic phospholipid that is the conjugate base of a 1,2-diacylglycero-3-phospho-1-inositol; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine.


(KDO)2-lipid IVA(6-)

(KDO)2-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy groups. It is the major species at pH 7.3.


An organosulfate oxoanion that is a trianion arising from deprotonation of the O-sulfo, N-sulfo and carboxy groups of 3-D-glucuronosyl-N(2),6-disulfo-beta-D-glucosamine; major species at pH 7.3.


An oxo dicarboxylate obtained by deprotonation of both carboxy groups of 4-hydroxy-2-oxoglutaric acid.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 20-methyl-3-oxopregna-4,17-dien-21-oyl-CoA; major species at pH 7.3.


An inositol phosphate oxoanion resulting from the removal of all three protons from the phosphate groups of bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,21Z,24Z,27Z,30Z)-3-hydroxyhexatriacontatetraenoyl-CoA; major species at pH 7.3.


Dianion of (2E)-2-(methoxycarbonylmethyl)but-2-enedioic acid arising from deprotonation of both carboxylic acid functions.


alpha-D-glucosamine 1-phosphate(1-)

Conjugate base of alpha-D-glucosamine 1-phosphate.


Tricarboxylate anion of but-1-ene-1,2,4-tricarboxylic acid; major species at pH 7.3.


Cy3-monofunctional dye(1-)

An organosulfonate oxoanion derived from a Cy3 dye.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (9Z)-18-hydroxyoctadec-9-enoic acid 18-O-beta-D-glucoside.


A nucleotide-sugar oxoanion resulting from the removal of two protons from the diphosphate group of UDP-beta-L-arabinopyranose.


phytanate

A branched-chain saturated fatty acid anion that is the conjugate base of phytanic acid, arising from deprotonation of the carboxylic acid group.


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


cardiolipin 74:6(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 74 carbons and 6 double bonds.


20-hydroxy-leukotriene E4(1-)

Conjugate base of 20-hydroxy-leukotriene E4.


protodeoxyviolaceinate

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


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


An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of CDP-2,3-bis-O-(phytanyl)-sn-glycerol.


hydroxy fatty acid anion 22:0

Any hydroxy saturated fatty acid anion containing 22 carbons.


An acyl-CoA oxoanion that is the pentaanion of decanedioyl-CoA, arising from deprotonation of the phosphate, diphosphate and carboxylic acid OH groups.


Conjugate base of imidazol-4-ylacetic acid; major species at pH 7.3.


A cephalosporin carboxylic acid anion having a 7beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino side-chain, formed by proton loss from the carboxy group of the cephalosporin cefadroxil.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-acetyl-alpha-D-galactosamine 1-phosphate; major species at pH 7.3.


A hydroperoxydocosapentaenoate that is the conjugate base of (8E,10Z,13Z,15E,19Z)-7,17-bis(hydroperoxy)docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 48:2(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 2 double bonds.


phosphatidylserine 38:6(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 6 double bonds.


alpha-ribazole 5'-phosphate(2-)

Dianion of alpha-ribazole 5'-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


A beta-bitter acid(1-) that is the conjugate base of colupulone, obtained by deprotonation of one of the enolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


C20 phytosphingosine 1-phosphate(1-)

An anionic C20 phospholipid obtained by deprotonation of the phosphate OH groups and protonation of the amino group of C20 phytosphingosine 1-phosphate; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate, diphosphate and carboxy groups of (S)-2-benzoylsuccinyl-CoA.


A 6-(N-acetyl-alpha-D-glucosaminyl)-1-phosphatidyl-1D-myo-inositol(1-) arising from deprotonation of the phosphate OH group of 6-(N-acetyl-alpha-D-glucosaminyl)-(1-stearoyl,2-(9Z)-octadecenoyl-sn-glycero-3-phospho)-1D-myo-inositol; major species at pH 7.3.


nucleotide-sugar oxoanion

Any nucleotide-sugar in which one or more of the diphosphate OH groups has been deprotonated.


phosphatidylserine 46:1(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 46 carbons in total and 1 double bond.


An organophosphonate oxoanion obtained by deprotonation of the phosphonate OH groups of [(1R,2S)-2-hydroxy-1-thiopropyl]phosphonic acid; major species at pH 7.3.


pyridoxine 5'-phosphate(2-)

Dianion of pyridoxine 5'-phosphate.


oxodocosahexaenoate

An oxo fatty acid anion obtained by deproitonation of any oxo-DoHE; major species at pH 7.3.


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


Dianion of N'-phosphoguanidinoethyl methyl phosphate.