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


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


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


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


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


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


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


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


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


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


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


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


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


resolvin T1(1-)

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


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


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

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


(-)-quinate

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


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


phosphatidylserine O-30:5(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 30 carbons and 5 double bonds.


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


cardiolipin 72:9(2-)

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


docosatrienoate

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


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


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


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


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


alpha-D-fructuronate

The alpha-anomer of D-fructuronate.


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


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


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


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


Se-methyl-D-selenocysteinate

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


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


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


oxo carboxylic acid anion

Any carboxylic acid anion containing at least one oxo group.


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

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


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


maleate

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


heptanoate

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


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


pyridoxate

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


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


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


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


Conjugate base of 3-demethylubiquinone-9.


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


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


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


4-ethylphenyl sulfate(1-)

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


m-azobenzenesulfonate

The conjugate base of m-azobenzenesulfonic acid.


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


phosphatidylserine 38:4(1-)

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


ribonucleoside 3'-monophosphate(2-)

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


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


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


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


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


maleylacetate

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


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


hydroxydocosahexaenoate

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


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


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


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


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


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


The conjugate base of 13-hydroxydocosanoic acid.


dihydroxyicosatetraenoate

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


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


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


benzenamine sulfate(1-)

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


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


phenolate anion

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


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


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


oxopentanoates

The conjugate base of any oxopentanoic acid.


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


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


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


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


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


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


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


A 2-hydroxyoctadecenoate resulting from the deprotonation of the carboxy group of 2-hydroxyoleic acid; major species at pH 7.3.


maleamate

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


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


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


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


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


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


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


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


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


rifamycin SV hemiaminal(1-)

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


phosphatidylserine O-44:4(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 44 carbons and 4 double bonds.


phosphatidylserine O-30:4(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 30 carbons and 4 double bonds.


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

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


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


3-dehydrocarnityl CoA(3-)

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


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


picrate anion

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


tetracarboxylic acid anion

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


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


(E,E)-sorbate

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


penturonate

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


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


phosphatidylinositol 46:1(1-)

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


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


phosphatidylserine 30:5(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 30 carbons in total and 5 double bonds.


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


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


Major species at pH 7.3.


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


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


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


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


adenosylcobalamin 5'-phosphate(2-)

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


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


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


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


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


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


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


Major species at pH 7.3


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


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


pivalate

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


tuberonate

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


vancomycin aglycone(1-)

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


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


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


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


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

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


The conjugate base of thiomorpholine-3-carboxylic acid.


pentalenolactone E(1-)

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


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


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

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


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


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


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


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


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


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


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

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


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


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


7(1)-hydroxychlorophyll a(1-)

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


taurocholate

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


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


organosulfonate oxoanion

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


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

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


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

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


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


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


dibunate

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


mycobilin a(2-)

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


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


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


phosphatidylserine 40:2(1-)

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


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


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


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

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


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


Alexa Fluor 488 meta-isomer

The 5-isomer of Alexa-Fluor 488.


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


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


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


undecanoate

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


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


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


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


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


cyclosporin A sulfate

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


aurintricarboxylate

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


Major microspecies at pH 7.3.


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


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


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


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


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


isobutyrate

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


Major species at pH 7.3


flufenamate

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


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


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


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


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

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


2-saturated acyl-CoA(4-)

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


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

Major microspecies at pH 7.3


olivetolate

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


taurochenodeoxycholate 7-sulfate(2-)

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


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


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


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

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


The dianion of balsalazide.


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


lipid A-core 1-diphosphate(11-)

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


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

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


cyclic di-AMP(2-)

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


N,N-dimethylethanolamine phosphate(1-)

Conjugate base of N,N-dimethylethanolamine phosphate.


D-ribose 5-triphosphate(4-)

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


deoxyviolaceinate

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


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


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


1-oleoylglycerone 3-phosphate(2-)

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


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


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


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

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


N-acetyl-L-isoleucinate

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


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


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


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


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


Conjugate base of dethiobiotin; major species at pH 7.3.


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

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


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


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


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

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


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


phosphatidylserine O-38:6(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 38 carbons and 6 double bonds.


cysteamine S-phosphate(2-)

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


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


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

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


octatriacontatetraenoate

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


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


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

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


Major species at pH 7.3.


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


dehydroabietate

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


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


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


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


pentenoate

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


picolinate

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


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


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


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


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


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


cardiolipin 78:10(2-)

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


coenzyme F430(5-)

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


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


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


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


glycinate

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


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


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


The L-enantiomer of altrarate(2-).


The S-enantiomer of 2-hydroxypalmitate.


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


N-acylglycinate

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


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


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


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


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


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


azocarmine G(1-)

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


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


unsaturated fatty acid anion

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


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


threonate

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


D-pipecolate

The D-enantiomer of pipecolate.


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


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of N-amidino-L-aspartic acid.


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


cellobionate

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


27-O-demethylrifamycin SV(1-)

A phenolate anion obtained by deprotonation of the 5-hydroxy group of 27-O-demethylrifamycin SV. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


The carbohydrate acid derivative anion formed by loss of 10 protons from the carboxy and sulfoamino groups of fondaparinux.


pentacarboxylic acid anion

A carboxylic acid anion formed by deprotonation of at least one of the five carboxy groups of any pentacarboxylic acid.


An octadecatrienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,9Z,12Z)-octadecatrienoyl-CoA.


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


A 4-androstene-3beta,17beta-diol disulfate anion obtained by deprotonation of both sulfo groups of 4-androstene-3beta,17beta-diol disulfate.


lysophosphatidylinositol 14:1(1-)

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


glufosinate-P zwitterion(1-)

An organic anion resulting from the deprotonation of the phosphinic acid group of (2R)-glufosinate-P zwitterion.


acyl-CoA oxoanion

Any acyl coenzyme A thioester in which one or more of the phosphate and/or diphosphate groups has been deprotonated.


phosphatidylserine O-28:1(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 28 carbons and 1 double bond.


nocardicin A(1-)

An alpha-amino-acid anion that is the conjugate base of nocardicin A, arising from deprotonation of the carboxy groups and protonation of the amino group.


2-aminophenyl sulfate

A phenylsulfate oxoanion that is the conjugate base of 2-aminophenyl hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion arising from deprotonation of the carboxy and hydroxyphosphinyl groups of (hydroxyphosphinyl)pyruvic acid; major species at pH 7.3.


Major species at pH 7.3


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


A feruloylacetyl-CoA(4-) in which the C=C double bond of the feruloyl group has trans configuration.


A carbohydrate acid anion obtained by deprotonation of any aldonic acid. Major structure at pH 7.3 of aldonate compounds.


A flavonoid oxoanion that is a trianionic form of luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)]. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Transition state of the chorismate mutase catalyzed Claisen rearrangement of chorismate to prephenate.


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


Conjugate base of (11S)-11-hydroperoxylinoleic acid arising from deprotonation of the carboxylic acid function.


An organosulfonate oxoanion that is the conjugate base of 3,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid, obtained by deprotonation of the sulfo group.


The conjugate base of 6-O-sulfo-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->6)-alpha-D-Glc-(1->3)-1-O-alkyl-2-O-acylglycerol.


iodothyroninate

An iodothyronine whose alpha carboxylic acid group of the tyrosine is ionized (not protonated).


ferulate

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


Conjugate base of 2,6-dihydroxynicotinic acid.


15-dehydro-prostaglandin D2(1-)

Conjugate base of 15-dehydro-prostaglandin D2.


cyclic A(2'-5')pA(3'-5')pA(3'-5')p(3-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of cyclic A(2'-5')pA(3'-5')pA(3'-5')p; 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.


An anionic phospholipid that is the conjugate base of phosphatidyl-myo-inositol 6-acylmannoside, obtained by deprotonation of the phosphate group; major species at pH 7.3.


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


A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and octadecanoyl (stearoyl) respectively; major species at pH 7.3.


cardiolipin 68:2(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 68 carbons and 2 double bonds.


A monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of phenylacetylglycine. The major species of phenylacetylglycine at pH 7.3.


A pyrimidine ribonucleoside 5'-monophosphate in which the pyrimidine element is 5-methyluracil; 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)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1) arising from deprotonation of the neuraminosyl carboxy groups; major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) obtained by deprotonation of the phosphate group of 1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3.


phosphatidylserine 30:3(1-)

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


2'-deoxycytosine 5'-monophosphate(2-)

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


A dicarboxylic acid dianion obtained by removal of a proton from both carboxy groups of (2S)-2-isopropyl-3-oxosuccinic acid.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 5Z,8Z,11Z,14Z-eicosatetraenoyl (arachidonoyl) respectively; major species at pH 7.3.


poly(ribitol phosphate) polyanion

The polyanion of poly(ribitol phosphate) arising from global deprotonation of phosphate OH groups in the repeating units.


A  3-substituted propionyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any long-chain 3-substituted propionyl-CoA; major species at pH 7.3.


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


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 4-sulfanylbutanoic acid. The major species at pH7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 2,3-bis-O-phytanyl-sn-glycerol 1-phospholipid; major species at pH 7.3.


A phosphatidylserine 38:6 that is the conjugate base of hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine; major species at pH 7.3.


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


carbon oxoanion

A negative ion consisting solely of carbon and oxygen  atoms, and therefore having the general formula CxOy(n-) for some integers x, y and n.


cortisol 21-sulfate(1-)

Conjugate base of cortisol 21-sulfate arising from deprotonation of the sulfate OH; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1,6-dicarboxylic acid; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#3-CoA; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of prenyl-FMN; major species at pH 7.3. It is an essential cofactor for the decarboxylase enzymes UbiD (Fdc1).


A monocarboxylic acid anion that is the conjugate base of 4-carboxymethyl-3-methylbut-2-en-1,4-olide; major species at pH 7.3.


A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 2-hydroxyglutaric acid.


2-hydroxy fatty acid anion 18:0

A hydroxy fatty acid anion 18:0 in which the hydroxy substituent is located at position 2.


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


cimicifugate E

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


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


(+)-bornyl diphosphate(3-)

Trication of (+)-bornyl diphosphate.


phosphatidylserine O-34:0(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 34 carbons and 0 double bonds.


4-vinylguaiacol sulfate(1-)

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


sulfoglycolithocholate anion

An organic anion obtained by removal of a least one proton from the acidic functional groups of sulfoglycolithocholic acid.


(2R)-glufosinate zwitterion(1-)

An organic anion resulting from the deprotonation of the phosphinic acid group of (2R)-glufosinate zwitterion.


An EpETE(1-) that is the conjugate base of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


The conjugate base of N(2),N(5)-dibenzoyl-L-ornithine; major species at pH 7.3.


biochanin A(1-)

Conjugate base of biochanin A arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the carboxy and phosphate groups of N-hexadecanoyl-O-(1-octadecanoyl-sn-glycero-3-phospho)-L-serine; major species at pH 7.3.


isopimarate

Conjugate base of isopimaric acid.


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


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


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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-mannosyl-(1->4)-alpha-L-rhamnosyl-(1->3)-beta-D-galactosyl-1-diphosphodecaprenol.


A (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoic acid; major species at pH 7.3.


(R)-secondary-alkyl sulfate oxoanion

A secondary alkyl sulfate oxoanion where the substiuents are arranged so the sulfate is in (R)-configuration. Published in DOI:10.1002/adsc.201100864


An altrarate(1-) that is the conjugate base of D-altraric acid.


creatinate

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


A steroid glucuronide anion that is the conjugate base of estriol 16-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.


phosphatidylserine O-44:0(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 44 carbons and 0 double bonds.


ascopyrone P(1-)

Conjugate base of ascopyrone P.


An N-acyl-sn-glycero-3-phosphoethanolamine(1-) in which the N-acyl group is specified as arachidonoyl (5Z,8Z,11Z,14Z-icosatetraenoyl); major species at pH 7.3.


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


An organic anion that is the conjugate base of 2-chloro-6-hydroxy-1,4-benzoquinone, obtained from the deprotonation of the hydroxy group. Major microspecies at pH 7.3.


Major species at pH 7.3


An organosulfate oxoanion obtained by deprotonation of the sulfate and neuraminosyl carboxy groups of 8-O-sulfo-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.


A 1,2-diacyl-3-(3-O-sulfo-beta-D-galactosyl)glycerol(1-) resulting from the deprotonation of the sulfate group of 2,3-diacyl-1-(3-O-sulfo-beta-D-galactosyl)-sn-glycerol. The major species at pH 7.3.


leukotriene C3(2-)

A leukotriene anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of leukotriene C3; major species at pH 7.3.


An acylglycerophosphoacylglycerol(1-) that is the conjugate base of 1,2-dioleoyl-sn-glycero-3-phospho-1'-(3'-oleoyl)-sn-glycerol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of hyodeoxycholic acid 24-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


A dioxo monocarboxylic acid anion that is the conjugate base of 2,6-dioxo-6-phenylhexa-3-enoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


syringate

A methoxybenzoate that is the conjugate base of syringic acid, obtained by deprotonation of the carboxy group.


A phenolate anion resulting from the deprotonation of the phenolic hydroxy group of 2,4,6-trichlorophenol.


diatrizoate meglumine

The N-methylglucamine salt of amidotrizoic acid. Both the sodium and the meglumine salts of amidotrizoic acid have been widely used as water-soluble radioopaque media in diagnostic radiography. The use of a mixture of the two salts is often preferred, as adverse effects can be reduced.


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


Conjugate base of N-acetyl-4-O-acetylneuraminic acid.


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


Dianion of 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid having anionic carboxyl and phosphate groups and a protonated amino group.


A 1-pyrrolinecarboxylate that is the conjugate base of (S)-3-hydroxy-3,4-dihydro-2H-pyrrole-5-carboxylic acid, obtained by deprotonation of the carboxy group. Major species at pH 7.3.


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


The meso-isomer of 2,6-diaminopimelate.


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


(S)-PGA2-S-glutathione conjugate(2-)

A prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (S)-PGA2-S-glutathione conjugate; major species at pH 7.3.


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


A iodobenzoate that is the conjugate base of 4-iodobenzoic acid; major microspecies at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate; major species at pH 7.3.


soppiline C(1-)

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


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


cardiolipin 78:15(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 78 carbons and 15 double bonds.


Published in DOI:10.1104/pp.116.1.369


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 7-methyl-7,8-dihydroguanosine-5'-diphosphate.


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-acylphytosphingosine; major species at pH 7.3.


N-decanoylsphingosine 1-phosphate(2-)

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


A steroid sulfate oxoanion that is the conjugate base of (3beta,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


Trianion of N(2)-succinyl-L-glutamic acid arising from global deprotonation of the carboxy groups.


Conjugate base of (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid.


copal-8-ol diphosphate(3-)

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


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


A pyridinemonocarboxylate that is the conjugate base of 5-(2'-formylethyl)-4,6-dihydroxypicolinic acid.


An N-acyllysophosphatidylethanolamine(1-) in which the N-acyl group is specified as palmitoyl (hexadecanoyl) while the phosphatidyl acyl group is specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the carboxy and diphosphate OH groups of UDP-N-acetyl-D-mannosaminouronic acid.


An oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of an (R)-2-alkyl-3-oxoalkanoic acid.


A carbohydrate acid derivative anion that is the dianion resulting from the removal of the proton from both of the carboxylic acid groups of luteolin-7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide].


A nucleotide-sugar oxoanion that is the conjugate base of UDP-2-acetamido-4-amino-2,4,6-trideoxy-D-glucose arising from deprotonation of the phosphate OH groups and protonation of the 4-amino group; major species at pH 7.3.


A omega-oxo fatty acid anion that is the conjugate base of 12-oxododecanoic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3.


tetratriacontanoate

An ultra-long-chain fatty acid anion that is the conjugate base of tetratriacontanoic aacid, obtained by deprotonation of the carboxy group.


A 1-(5-phospho-D-ribosyl)-ATP(6-) in which the 5-phospho-D-ribosyl residue has beta-configuration at the anomeric centre.


(aminooxy)acetate

A monocarboxylic acid anion that is the conjugate base of (aminooxy)acetic acid, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


N-acetylmethionine sulfone(1-)

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


tridecanoate

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


A tricarboxylic acid trianion resulting from deprotonation of the three carboxy groups of 4-carboxy-2-hydroxy-cis,cis-muconic acid; major species at pH 7.3.


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


L-prolinate

An optically active form of prolinate having L-configuration.


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

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


The 2R stereoisomer of 2,6-dimethylheptanoyl-CoA(4-).


An organic cation that is the conjugate acid of 6-O-methyldeacetylipecoside, arising from protonation of the secondary amino group; major species at pH 7.3.


A phenolate anion that is the conjugate base of (+)-geodin, arising from the deprotonation of the hydroxy group. Major species at pH 7.3.


The L-enantiomer of cysteinate(2-).


N-hydroxy-alpha-amino-acid anion

An N-hydroxylated alpha-amino-acid anion.


oxidized Watasenia luciferin(2-)

Dianion of oxidized Watasenia luciferin arising from deprotonation of both sulfate OH groups; major species at pH 7.3.


An organophosphate oxoanion that is the trianion of ditrans,polycis-undecaprenyl diphosphate.


Dicarboxylate anion of D-glucaric acid; major species at pH 7.3.


phenylalaninate

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


A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl).


Major microspecies at pH 7.3


An anionic phospholipid that is the conjugate base of a monoacylglycero-3-phospho-L-serine compound. Major species at pH 7.3.


The  flavonoid oxoanion formed by deprotonation of the 7-hydroxy function of wogonin.  Major structure at pH 7.3.


Trianion of 3-carboxy-cis,cis-muconic acid arising from deprotonation of all three carboxylic acid functions.


cyanidin 3-O-beta-D-galactoside(1-)

A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-beta-D-galactoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.


A carbohydrate acid derivative anion that is the conjugate base of 17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The anion formed by loss of a proton from the carboxy group of (R)-3-hydroxyisobutyric acid; major microspecies at pH 7.3.


An organosulfate oxoanion that is 5-dehydro-4-deoxy-2-O-sulfo-D-glucuronic acid in which a proton has been removed from both the carboxy and the sulfate group.


A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfate groups of 11-sulfojasmonic acid. Major species at pH 7.3


N,N'-diacetylchitobionate

Spontaneous hydrolysis product of CHEBI:143145


Trianion of 5'-phosphoguanylyl(3'->5')guanosine.


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy group of 2-hydroxy-6-oxonona-2,4-dienoic acid; major species at pH 7.3.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,11Z,14Z,17Z,20Z,23Z)-3-hydroxyhexacosapentaenoyl-CoA; major species at pH 7.3.


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


lipid IVB(4-)

An lipid IVA oxoanion arising from deprotonation of the phosphate OH groups of lipid IVB; major species at pH 7.3.


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


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


cinnamate

A member of the class of cinnamates that results from the deprotonation of the carboxy group of cinnamic acid.


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


Heptacarboxylate anion of precorrin-3B.


7-methylguanosine 5'-diphosphate(2-)

A doubly-charged organophosphate oxoanion arising from deprotonation of the three diphosphate OH groups of 7-methylguanosine 5'-diphosphate(1+); major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#1-CoA; major species at pH 7.3.


N-hydroxytrihomomethioninate

Conjugate base of N-hydroxytrihomomethionine.


A 2-hydroxypenta-2,4-dienoate in which the double bond between positions 2 and 3 has E- (cis-) geometry.


A nucleotide-sugar oxoanion obtained by deprotonation of carboxy and phosphate groups of CMP-N,N-diacetyllegionaminate; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of cyclohexane-1-carbonyl-CoA; major species at pH 7.3.


A long-chain fatty acid anion that is the conjugate base of 9,10-dihydroxystearic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


1-tetradecylglycerone 3-phosphate(2-)

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


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


A polyanionic polymer obtained by deprotonation of the carboxy groups of glucuronoxylan 4-O-methyl-D-glucuronate. Major microspecies at pH 7.3


Conjugate base of 2-hydroxy-2H-chromene-2-carboxylic acid.


A medium-chain fatty acid anion resulting from the deprotonation of the carboxy group of 2,3-dihydroxydodecanoic acid. Major microspecies at pH 7.3


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 9alpha-hydroxy-3-oxo-23,24-bisnorchola-1,4-dienoyl-CoA; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (4Z,7Z,10Z,16Z,19Z)-13,14-epoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Major species at pH 7.3


3-hydroxypyridine sulfate(1-)

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


A mannarate(2-) that is the dianion obtained by the deprotonation of the carboxy groups of L-mannaric acid.


carbocyclic fatty acid anion

Any fatty acid anion containing a ring composed of carbon atoms. Major microspecies at pH 7.3


sucrose 6(G)-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of sucrose 6(G)-phosphate; major species at pH 7.3.


Trianion of UDP-N-acetylmuramoyl-L-alanyl-D-alpha-glutamyl-L-lysine.


octacarboxylic acid anion

A carboxylic acid anion formed by deprotonation of at least one of the eight carboxy groups of any octacarboxylic acid.


An alpha-amino-acid anion that is the conjugate base of 5-(L-alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde, having anionic carboxy gropus and a cationic amino group; major species at pH 7.3.


hainanate A

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


An N-acetylneuraminate obtained by deprotonation of the carboxy groups of any alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) arising from deprotonation of the phosphate OH groups of 1-acyl-2-hexanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-5'-phosphate); major species at pH 7.3.


A hydroperoxy fatty acid anion that is the conjugate base of 13-HPODE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


An (R)-3-hydroxyacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any very long-chain (R)-3-hydroxyacyl-CoA; major species at pH 7.3.


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


A methyl-branched fatty acyl-CoA(4-) arising from the deprotonation of the phosphate and diphosphate OH groups of 2-methylacyl-CoA; major microspecies at pH 7.3.


A steroid acid anion that is the conjugate base of (25R)-3beta-hydroxycholest-5-en-7-one-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) ion in which the acyl groups at C-1 and C-2 are hexadecanoyl and (9Z)-hexadec-9-enoyl respectively.


sarcosinate

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


An aminobenzenesulfonate that is the conjugate base of 4-aminobenzenesulfonic acid.


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


N-acylphytosphingosine 1-phosphate(2-)

A ceramide 1-phosphate(2-) obtained by deprotonation of both phosphate OH groups of any N-acylphytosphingosine 1-phosphate.


An octadeca-9,11-dienoate that is the conjugate base of 9-cis,11-trans-octadecadienoic acid, formed by deprotonation of the carboxylic acid functional group.


Man-1-6-Ins-1-P-Cer C 44:0(1-)

A Man-1-6-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.


The organophosphate oxoanion formed by proton loss from each of the phospho groups of 4-O-[4-O-(2-acetamido-2-deoxy-alpha-D-glucosylphospho)-2-acetamido-2-deoxy-alpha-D-glucosylphospho]-2-acetamido-2-deoxy-alpha-D-glucosyl 3-aminopropyl phosphate.


bacteriochlorophyllide f(1-)

A cyclic tetrapyrrole anion that is obtained from any bacteriochlorophyllide f via deprotonation of the carboxy group; major species at pH 7.3.


An organosulfate oxoanion obtained by deprotonation of the sulfate group of 1-(3-O-sulfo-beta-D-galactosyl-(1->4)-beta-D-glucosyl)-N-acylsphingosine; major species at pH 7.3.


An arenesulfonate that is the conjugate base of 4-formylbenzenesulfonic acid, obtained by deprotonation of the sulfonic acid group.


Major species at pH 7.3.


A 3-hydroxy fatty acyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (3S,7Z)-3-hydroxyhexadecenoyl-CoA; major species at pH 7.3.


A 4-oxo monocarboxylic acid anion that is 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilate and results from the removal of a proton from the carboxylic acid group of 2,3-dihydro-3-oxoanthranilic acid.


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


N-(fatty acyl)-L-lysine zwitterion

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


20-hydroxyprostaglandin A1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 20-hydroxyprostaglandin A1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A tetracosapentaenoate that is the conjugate base of (6Z,9Z,12Z,15Z,18Z)-tetracosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid anion that is the conjugate base of ethylenediaminediacetic acid.


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


An anionic ganglioside that is the conjugate base of N-acetyl-alpha-neuraminosyl-(2->3)-D-galactosylceramide arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.


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


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


A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as position N1 of FMNH2.


A CDP-3,6-dideoxy-D-glucose(2-) in which the anomeric centre of the pyranose fragment has alpha-configuration.


6-oxoprostaglandin E1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 6-oxoprostaglandin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A dihydroxybenzoate having the two hydroxy groups located at the 3- and 4-positions.


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


glycolaldehyde phosphate(2-)

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


N-[(S)-lactoyl]-L-phenylalaninate

A N-acyl-L-alpha-amino acid anion that is the conjugate base of N-[(S)-lactoyl]-L-phenylalanine obtained from deprotonation of the carboxy group; major species at pH 7.3.


hydroperoxyoctadecenoate

An octadecanoid anion that is octadecenoate containing a hydroperoxy substituent attached to its carbon chain.


An inositolphosphoceramide where the chain lengths for both the sphingoid base and the fatty acyl are undefined, the sphingoid base is dihydroxylated with no double bonds, and the fatty acyl chain is hydroxylated at position C2.


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


A peptide anion obtained from the deprotonation of the two carboxy groups, and protonation of the primary amino group of beta-casochemotide-1. It is the major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of (12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of cangrelor.


butyrate

A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.


(8S)-hepoxilin A3(1-)

A hepoxilin A3 anion that is the conjugate base of (8S)-hepoxilin A3, obtained by deprotonation of the carboxylic acid group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of bkos#9-CoA; major species at pH 7.3.


N-carbamoyl-D-alpha-amino acid anion

A carboxylic acid anion obtained by deprotonation of the carboxy group of any N-carbamoyl-D-amino acid; major species at pH 7.3.


phosphatidylinositol 34:2(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 2 double bonds.


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 46 carbons and 0 double bonds, with either the acyl group hydroxylated at position 2 or the ceramide base hydroxylated at position 4.


(+)-kolavenyl diphosphate(3-)

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


The arenesulfonate oxoanion that is 8-methoxypyrene-1,3,6-trisulfonic acid deprotonated at each of the three sulfonic acid substituents.


A phenolate anion that is the conjugate base of emodin, obtained by deprotonation of the phenolic hydroxy group at position 2; major species at pH 7.3 (according to Marvin v 6.2.0.).


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#28, obtained by deprotonation of the carboxy group; major species at pH 7.3.


17alpha-estradiol 3-glucosiduronate

A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 17alpha-estradiol 3-glucosiduronic acid.


N-benzyloxycarbonylglycinate

An N-acylglycinate that is the conjugate base of N-benzyloxycarbonylglycine; major species at pH 7.3.


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


2-methoxyacetaminophen sulfate(1-)

A phenyl sulfate oxoanion that is the conjugate base of 2-methoxyacetaminophen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


N,N-diacetyllegionaminate

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


An arenesulfonate oxoanion obtained by deprotonation of the sulfo group of 4-hydroxy-3-methoxybenzene-1-sulfonic acid.


tetracenomycin F2(1-)

A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F2, obtained by deprotonation of the carboxy group.


A monocarboxylic acid anion that is the conjugate base of 16-feruloyloxypalmitic acid obtained by deprotonation of the carboxy group.


adenosylcob(III)yrinate a,c-diamide(4-)

Conjugate base of adenosylcob(III)yrinic acid a,c-diamide.


(KDO)4-lipid IVA(8-)

(KDO)4-lipid IVA deprotonated at both phosphono groups and at the uronic acid carboxy groups. It is the major species at pH 7.3.


polyunsaturated fatty acyl-CoA(4-)

An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of any acyl-CoA where the fatty acyl chain contains 2 or more carbon to carbon double bonds; major species at pH 7.3.


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


(+)-pisiferate

A monocarboxylic acid anion that is the conjugate base of (+)-pisiferic acid, arising from the deprotonation of the carboxy group. Major species at pH 7.3.


The dianion formed by loss of a proton from each carboxy group of an aryl(methyl)malonic acid.


Major species at pH 7.3.


An anionic phospholipid having a phosphate group at sn-3 position of the glycerol backbone, and with a combination of one or two acyl groups, alkyl groups, or alkenyl groups attached at the sn-1 and sn-2 positions through ester, ether or vinyl linkages respectively.


A hexadecenoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (7Z)-hexadecenoyl-CoA; major species at pH 7.3.


3,7-dimethylurate anion

An organic anion obtained by removal of at least one proton from 3,7-dimethyluric acid.


L-alaninate

The L-enantiomer of alaninate.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD3 (d18:1/C18:0); major species at pH 7.3.


(R)-dihydrocamalexate

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


nocardicin E(1-)

Conjugate base of nocardicin E.


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


phosphatidylserine 28:2(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 2 double bonds.


An oxo monocarboxylic acid anion that is the a dianion resulting from the carboxy group and the beta-keto-enol group of 3-farnesyl-6-hydroxy-2,3,5-trimethyl-4-oxocyclohexa-1,5-diene-1-carboxylic acid; major species at pH 7.3.


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


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


A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of dGDP.


L-galactonate

A galactonate that is the conjugate base of L-galactonic acid.


2,3-saturated fatty acyl-CoA(4-)

A fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any 2,3-saturated fatty acyl-CoA; major species at pH 7.3.


A docosanoid anion that is the conjugate base of (7Z,10Z,13Z,19Z)-16,17-epoxydocosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A fatty acid anion 3:0 that is the conjugate base of 3-mercaptopropanoic acid.


acetylenic fatty acid anion

An unsaturated fatty acid anion that is the conjugate base of acetylenic fatty acid


gibberellin A53(2-)

A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A53.


(3Z,6Z)-dodeca-3,6-dien-1-yl sulfate

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


(24S)-hydroxycholesterol 24-sulfate(1-)

A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of (24S)-hydroxycholesterol 24-sulfate.


L-glutaminate

An optically active form of glutaminate having L-configuration.


resolvin E2(1-)

A polyunsaturated fatty acid anion that is the conjugate base of resolvin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


hydroxy fatty acid anion 18:0

Any hydroxy saturated fatty acid anion containing 18 carbons.


The anion formed from naproxen by loss of a proton from the carboxy group.


A 3-oxo-fatty acyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (7Z)-3-oxohexadecenoyl-CoA; major species at pH 7.3.


The conjugate base of 2-deoxy-D-gluconic acid; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of deoxycholic acid 24-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


Any monoacylglycerol 3-phosphate(2-) which has a free hydroxy group at the 2-position of the glycerol moiety.


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


A dTDP-D-fucose(2-) in which the anomeric centre of the fucose fragment has alpha-configuration.


Guinee green B(1-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonate groups of Guinee green B(1+).


The carbohydrate acid derivative anion formed by proton loss from the free carboxy group of alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll


epoxyoctadecenoate

A monounsaturated fatty acid anion obtained by formal epoxidation of one of the double bonds of any octadecadienoate.


dihydrourocanate

An imidazolyl carboxylic acid anion that is the conjugate base of dihydrourocanic acid, obtained by deprotonation of the carboxy group.


N,N-dihydroxy-L-tryptophanate

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


hydroxy monocarboxylic acid anion

Any monocarboxylic acid anion carrying at least one hydroxy substituent.


prostaglandin B1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


vitexin 2''-O-alpha-L-rhamnoside(1-)

The conjugate base of vitexin 2''-O-alpha-L-rhamnoside arising from deprotonation of the OH group at position 7 on the chromene.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#26-CoA; major species at pH 7.3.


Iron (Fe3+) siderophore


cob(I)yrinate a,c diamide(5-)

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


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


hexatriacontatetraenoate

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


The anion of 5-hydroxybenzimidazolylcob(I)amide, formed by loss of a proton from the phosphate OH group. It is the major species at pH 7.3.


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


hexadecanoyl phosphate(2-)

An acyl monophosphate(2-) in which the acyl group is specified as hexadecanoyl (palmitoyl), major species at pH 7.3.


An acyl-CoA(4-) in which the acyl moiety contains 24 carbons, 1 double bond, and 1 hydroxyl group on position 2. Major species at pH 7.3.


An acyl-CoA oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of (2Z)-4-carboxy-2-sulfanylbut-2-enoyl-CoA.


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


The 3-oxoanion of syringetin.


A phenolate anion obtained by deprotonation of the 4-hydroxy group of deoxyherqueinone. It is the major microspecies at pH 7.3.


A 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid.


A hexacosahexaenoate that is the conjugate base of (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylinositol 42:2(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 42 carbons in total and 2 double bonds.


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

An organophosphate oxoanion that is the conjugate base of 8-bromo-3',5'-cyclic GMP, arising from deprotonation of the phosphate OH group.


Conjugate base of 5,12-dihydroxanthommatin having anionic carboxy groups and a protonated primary amino group.


3,4'-O-dimethylkaempferol 7-olate

Major microspecies at pH 7.3.


N-oleoylsphingosine 1-phosphate(2-)

An N-acylsphingosine 1-phosphate(2-) in which the N-acyl group is specified as oleoyl; major species at pH 7.3.


An organic anion that is the conjugate base of 3,6,7,9-tetrahydroxy-3-methyl-2,3-dihydro-1H-naphtho[2,1-b]pyran-1-one, arising from the deprotonation of the hydroxy group at position 6; major species at pH 7.3.


The conjugate base of N-all-trans-retinylidenephosphatidylethanolamine; major species at pH 7.3.


A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (R)-2-hydroxy-3-methylbutyric acid. The major species at pH 7.3.


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


alkyl,acyl-sn-glycerol 3-phosphate(2-)

A glycerophosphate that is sn-glycerol 3-phosphate in which positions 1 and 2 are substituted by unspecified acyl and alkyl groups, and in which the positions of the acyl and alkyl groups are also unspecified.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-GalNAc-(1->4)-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate; major species at pH 7.3.


An epoxy(hydroxy)icosatrienoate that is the conjugate base of 11 hydroxy-(14R,15S)-epoxy-(5Z,8Z,12E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


Dianion of 2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine.


bacteriochlorophyllide d(1-)

A cyclic tetrapyrrole anion that is obtained from any bacteriochlorophyllide d via deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine O-40:2(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 40 carbons and 2 double bonds.


The anionic form of fura-2 dye.


An S-acyl-4'-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine; major species at pH 7.3.


Dianion of P(1),P(2)-bis(5'-adenosyl) diphosphate; major species at pH 7.3.


The D-enantiomer of histidinate(1-).


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


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


An icosanoid anion that is the conjugate base of 8(S),15(S)-DiHPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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

The hexaanion of 1D-myo-inositol 1,2,6-trisphosphate arising from global deprotonation of the phosphate OH groups. Major species at pH 7.3.


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


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


An acyl-CoA oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of 2-oxoglutaryl-CoA; major species at pH 7.3.


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


Major microspecies at pH 7.3


A monocarboxylic acid anion that is the conjugate base of 3,4-dimethylindole-2-carboxylic acid, obtained by deprotonation of the carboxy group.


An (omega-1)-hydroxy fatty acid that is the conjugate base of 5-hydroxyhexanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


adenosine thiamine triphosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the triphosphate OH groups of adenosine thiamine triphosphate.


An (omega-1)-hydroxy-long-chain fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-17-hydroxyoctadec-9-enoic acid. The major species at pH 7.3.


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

An organophosphate oxoanion that is a penta-anionic form of guanosine 3',5'-bis(diphosphate). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Dianion of N(6)-(dimethylallyl)adenosine 5'-phosphate arising from deprotonation of both OH groups of the phosphate.


A doubly-charged nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of (S)-NADHX; major species at pH 7.3.


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


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 3-O-phospho-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)]n-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-Man-(1->3)-alpha-D-GlcNAc-ditrans,octacis-undecaprenol.


fluoroacetate

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


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


Major species at pH 7.3.


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


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


A DiHETE(1-) that is the conjugate base of 8(S),15(S)-DiHETE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


glycoursodeoxycholate

A N-acylglycinate that is the conjugate base of glycoursodeoxycholic acid. obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontapentaenoyl-CoA.


A indol-3-yl carboxylic acid anion that is the conjugate base of 3-(indol-3-yl)pyruvic acid


Conjugate base of 3,4-dehydrothiomorpholine-3-carboxylic acid.


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


sedoheptulose 1,7-bisphosphate(4-)

A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of sedoheptulose 1,7-bisphosphate; major species at pH 7.3.


A multi-methyl-branched fatty acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate functions of phytanoyl-CoA .


A dioxo monocarboxylic acid anion that is the conjugate base of 1,4-naphthoquinone-2-carboxylic acid, obtained by the deprotonation of the carboxy group; major species at pH 7.3.


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


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


A dimethylbenzoate in which the two methyl groups are located at positions 3 and 5.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any monoacylglycero-3-phospho-1-inositol; major species at pH 7.3.


An organophosphate oxoanion that is the tetraanion obtained by the deprotonation of all the phosphate OH groups of eritoran.


15-ketoprostaglandin F1alpha(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 15-ketoprostaglandin F1alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of (E)-1-(glutathion-S-yl)-2-phenylacetohydroximate. Major microspecies at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of cyclohex-2,5-dienecarboxyl-AMP; major microspecies at pH 7.3.


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


An inositol phosphomannosylinositol phosphophytoceramide(2-) having an inositol 1-phosphinato group linked to the mannose residue (at the 6-position) and a hexacosanoyl group amide-linked to a C18 sphinganine base, with no hydroxylation at C-4 of the long-chain base and hydroxylation at C2 of the C26 very-long-chain fatty acid. Major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA; major species at pH 7.3.


Trianion of flavin adenine dinucleotide arising from deprotonation of the diphosphate OH groups and the imide nitrogen.


Ins-1-P-Cer-A 36:0(1-)

An Ins-1-P-Cer A(1-) in which the acyl group and the ceramide base contain a total of 36 carbons and 0 double bonds. Major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z,21Z)-3-oxotetracosapentaenoyl-CoA.


cardiolipin 66:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 66 carbons and 3 double bonds.


2-deoxy-D-glucopyranose 6-phosphate(2-)

An organophosphate oxoanion resulting from the deprotonation of the phosphate OH groups of 2-deoxy-D-glucopyranose 6-phosphate; major species at pH 7.3.


alginate

The ionic polymer obtained by global deprotonation of the carboxy groups of alginic acid; major species at pH 7.3.


(S)-citronellate

A monounsaturated fatty acid anion that is the conjugate base of (S)-citronellic acid, arising from the deprotonation of the carboxy group.


cyclic tetrapyrrole anion

An organic anion arising from deprotonation of a cyclic tetrapyrrole compound.


Dicarboxylate anion of (3Z)-phycocyanobilin.


colnelenate

A oxa fatty acid anion and the conjugate base of colnelenic acid, arising from deprotonation of the carboxylic acid group.


3-methyl fatty acid anion

A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3.


A carbohydrate acid anion arising from deprotonation of the carboxy group of 2-dehydro-3-deoxy-L-rhamnonic acid; major species at pH 7.3.


A quadruply-charged carboxyalkyl phosphate oxoanion resulting from global deprotonation of (2R)-O-phospho-3-sulfolactic acid.


dipyrromethane cofactor(4-)

Tetracarboxylate anion of dipyrromethane cofactor; major species at pH 7.3.


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


phosphatidylserine O-38:0(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 38 carbons and 0 double bonds.


name: 3alpha-hydroxy bile acid CoA thioester(4-)

description: A steroidal acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any 3alpha-hydroxy bile acid; major species at pH 7.3.


A branched polysaccharide acid oxoanion comprised of an octasaccharide repeating unit consisting of a backbone of two glucose and two glucuronic acid residues, and a side chain of three glucose and one galactose residues. The octasaccharide is modified by two pyruvyl and one non-stoichiometric O-acetyl group, and one non-stoichiometric hydroxybutanoyl group. Note that the structure shown and its molfile represent only one of the possible substitution patterns.


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


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


ethyl 4-hydroxybenzoate sulfate(1-)

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


A carbohydrate acid anion resulting from the removal of a proton from the carboxylic acid group of D-galactaro-1,4-lactone.


methyltetrahydrofolate

A group of heterocyclic compounds based on the N-methylated 5,6,7,8-tetrahydropteroic acid skeleton conjugated with one or more L-glutamic acid or L-glutamate units.


A hydroxy monocarboxylic acid anion that is the conjugate base of 3,5-dihydroxy-3-methylpentanoic acid resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


luteolin 7-O-beta-D-glucosiduronate(2-)

A carbohydrate acid derivative anion arising from deprotonation of the carboxy and 5-hydroxy groups of luteolin 7-O-beta-D-glucosiduronic acid; major species at pH 7.3 (according to Marvin v 6.2.0.).


D-arabino-hex-3-ulose 6-phosphate(2-)

Dianion of D-arabino-hex-3-ulose 6-phosphate.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#12, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 44:4(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 4 double bonds.


4-isopropylphenyl sulfate(1-)

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


triacetate lactone oxoanion

Conjugate base of triacetate lactone arising from deprotonation of the 4-hydroxy group; major species at pH 7.3.


An alpha-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.


cardiolipin 58:2(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 58 carbons and 2 double bonds.


An organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups as well as protonation of the amino group of O(4)-phosphotyrosine


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


A polyunsaturated fatty acid anion that is the conjugate base of (6Z,9Z,12Z,15Z)-octadecatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of III3FucIV3NeuAc-nLc4Cer; major species at pH 7.3.


Major species at pH 7.3


A organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of ADP-5-ethyl-4-methylthiazole-2-carboxylic acid; major species at pH 7.3.


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


A C4-dicarboxylate resuting from deprotonation of both carboxy groups of oxaloacetic acid.


A flavonoid oxoanion resulting from the deprotonation of the hydroxy groups at positions 5 and 7 of the flavonoid moiety of quercetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-beta-D-glucoside]. Identified in Fig. S20, peak 1


L-leucinate

The L-enantiomer of leucinate.


A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate functions of (16Z,19Z,22Z,25Z,28Z)-tetratriacontapentaenoyl-CoA; major species at pH 7.3.