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.


A monohydroxybenzoate that is the conjugate base of 3-hydroxy-4-methoxybenzoic acid, arising from deprotonation of the carboxy group.


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.


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.


nicotinate

A pyridinemonocarboxylate that is the conjugate base of nicotinic acid, arising from deprotonation of the carboxy group; 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.


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid.


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.).


fatty acid anion

The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid.


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 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.


(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.


Dianion of UDP-N-acetyl-D-galactosamine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


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.


A hydroxy fatty acid anion that is the conjugate base of 18-hydroxyarachidonic acid, arising from 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.


Octaanion of preuroporphyrinogen arising from global deprotonation of the eight carboxy groups; major species at pH 7.3.


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.


N-acetylneuraminate

A ketoaldonate that is the conjugate base of N-acetylneuraminic acid, obtained by deprotonation of the carboxy group.


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.


dolichyl D-xylosyl phosphate(1-)

Conjugate base of dolichyl D-xylosyl phosphate; 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,13Z,16Z,19Z,22Z)-3-hydroxyoctacosatetraenoyl-CoA; major species at pH 7.3.


coenzyme alpha-F420-3(6-)

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


A hydroxamic acid anion obtained by deprotonation of the three hydroxamic acid groups of coelichelin.


L-Norleucinate substituted at C-6 with a borono group.


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


A nucleoside triphosphate(4-) obtained by global deprotonation of the triphosphate OH groups of 2-hydroxy-ATP; major species present at pH 7.3.


An organophosphate oxoanion that is the conjugate base of 4-deoxy-4-formamido-alpha-L-arabinopyranosyl di-trans,poly-cis-undecaprenyl phosphate, arising from deprotonation of the free OH group of the phosphate.


A monocarboxylic acid anion resulting from the deprotonation of 6-hydroxynicotinic acid; the major species at pH 7.3.


Dianion of 2'-deoxy-5-methyl-5'-cytidylic acid arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


name: straight-chain saturated fatty acid anion

description: Any saturated fatty acid anion lacking a carbon side-chain.


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


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


A furancarboxylate that is the conjugate base of 5-formyl-2-furoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


glycocholate sulfate anion

An organic anion obtained by deprotonation of at least one of the acidic groups of any glycocholic acid sulfate.


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


15-dehydro-prostaglandin E1(1-)

Conjugate base of 15-dehydro-prostaglandin E1.


A dicarboxylic acid dianion resulting from the deprotonation of both ot the carboxy groups of 5,6,6'-trihydroxy-5'-methoxy[biphenyl]-3,3'-dicarboxylic acid. The major microspecies at pH 7.3.


keto-D-gluconate

A ketogluconate of D-configuration


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


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


An undecenoate that is the conjugate base of 8-undecenoic acid.


A steroid acid anion that is the conjugate base of (2Z,10Z)-3-hydroxy-5,17-dioxo-4,5-secoestra-2,10-diene-3-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. A meta-cleavage  metabolite in the estrogen degradation pathway.


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


A hydroxy fatty acid anion that is the conjugate base of 15-hydroxypalmitic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


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


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


L-alpha-glutamyl phosphate(2-)

Dianion of L-alpha-glutamyl phosphate.


A carbohydrate acid derivative anion that is the conjugate base of alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide.


fatty acid anion 4:0

Any saturated fatty acid anion containing 4 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


A vaccenate(1-) having a trans- double bond.


clavulanate

The conjugate base of clavulanic acid.


A carbohydrate acid derivative anion in which the anionic species formed by proton loss from the carboxy function of beta-D-galacturonic acid is linked glycosidically to a 3-aminopropyl group.


phosphatidylinositol 42:1(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 1 double bond.


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


20-hydroxy-6-trans-leukotriene B4(1-)

A leukotriene anion that is the conjugate base of 20-hydroxy-6-trans-leukotriene B4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


The carboxylate anion of N-acetyl-beta-D-galactosaminyl-(1->4)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,7Z,10Z,13Z,16Z,19Z)-3-hydroxydocosapentaenoyl-CoA; major species at pH 7.3.


N-hydroxydihomomethioninate

Conjugate base of N-hydroxydihomomethionine.


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


The conjugate base of 3-dehydro-L-gulonic acid; major species at pH 7.3.


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


mevinolinate

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


An  organosulfinate oxoanion resulting from the deprotonation of the sulfinic acid group of hypotaurine.


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

An organophosphate oxoanion which is obtained from 2',3'-cyclic AMP by removal of a proton from the cyclic phosphate group.


A 1-(1Z-alk-1-enyl)-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-(1Z-octadecenyl)-2-arachidonoyl-sn-glycero-3-phosphoserine, obtained by deprotonation of the phosphate and carboxy groups and protonation of the amino group; major species at pH 7.3.


3-hydroxy fatty acyl-CoA(4-)

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


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


An oxalatosuccinate(3-) in which the carboxy group at position 2 adopts an S-configuration.


A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 3-hydroxy-L-glutamic acid.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of (2E,6E,10E)-omega-hydroxyfarnesyl diphosphate; major species at pH 7.3.


The conjugate base of 2,5-dioxopentanoic acid; major species at pH 7.3.


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


An organosulfonate oxoanion resulting from the removal of a proton from the sulfonic acid group of (2R)-3-sulfopropanediol.


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


is_a CHEBI:65055 is_a CHEBI:74241


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


A nucleotide-sugar oxoanion that is the dianion of D-ribofuranosyl-ADP arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group on the Neu5Ac residue of 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. It is the 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 methylmalonic acid.


21-hydroxypregnenolone disulfate anion

A steroid sulfate oxoanion obtained by deprotonation of at least one of the sulfo groups of 21-hydroxypregnenolone disulfate.


A hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-{[(3R)-3-hydroxybutanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoyl]oxy}butanoate. A pentamer of (3R)-hydroxybutanoic acid; major microspecies at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (R)-3,5-bisphosphomevalonic acid; major species at pH 7.3.


phosphatidylserine O-28:5(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 28 carbons and 5 double bonds.


sn-glycerol 3-phosphate(2-)

An organophosphate oxoanion that is the dianion of sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups.


prostaglandin A2(1-)

A prostaglandin carboxylic acid anion resulting from the removal of the proton from the carboxy group of prostaglandin A2.


phosphatidylinositol 36:4(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 4 double bonds.


methyl sulfate(1-)

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


trioxilin B3(1-)

The trioxilin anion that is the anion formed from trioxilin B3 by deprotonation of its carboxylic acid moiety; major microspecies present at pH 7.3.


o-cresol sulfate

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


A naphthoate that is the conjugate base of 1-naphthoic acid.


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


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


An amidobenzoate that is the conjugate base of 4-acetamidobenzoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


A piperidinecarboxylate that is the conjugate base of 1-piperideine-2-carboxylic acid.


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


phosphatidylserine O-36:0(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 36 carbons and 0 double bonds.


gondoate

A very long-chain fatty acid anion that is the conjugate base of gondoic acid, formed by deprotonation of the carboxylic acid group.


3,8'-biflaviolin 2,7,2'-triolate

A flavonoid oxoanion that is a trianionic form of 3,8'-biflaviolin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


The S-enantiomer of 2-hydroxy-3-methylbutyrate. The conjugate base of (S)-2-hydroxy-3-methylbutyric acid, formed by loss of a proton from the carboxy group, it is the major species present at physiological pH.


xanthurenate

A quinolinemonocarboxylate that is the conjugate base of xanthurenic acid, obtained by deprotonation of the carboxy group.


Conjugate base of kaempferide arising from selective deprotonation of the 3-hydroxy group.


An organic nitrogen anion resulting from the deprotonation of the sulfonamide nitrogen of flucarbazone.


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

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


octacosahexaenoate

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


Trianion of UDP-N-acetylmuramoyl-L-alanyl-D-glutamyl-N(6)-(L-alanyl)-L-lysyl-D-alanyl-D-alanine having anionic diphosphate and carboxy groups and a cationic amino group.


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


Conjugate base of 4-hydroxyphenylglyoxylic acid.


An N-acyl-L-aspartate(2-) obtained by deprotonation of the carboxy groups of N-(indole-3-acetyl)-L-aspartic acid.


A docosanoid anion that is the conjugate base of (4Z,7Z,11E,13Z,16Z,19Z)-10-hydroperoxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3


An organic anion that is the major structure of apiin at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of (1R,10aS)-1,4,10,10a-tetrahydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-L-rhamnose; major species at pH 7.3.


N-acetylmethioninate

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


carboxylato-PTIO

A benzoate that is the conjugate base of carboxy-PTIO, obtained by deprotonation of the carboxy group.


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

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


A beta-D-glucosiduronate resulting from the deprotonation of the carboxy group of 4-methylumbelliferone beta-D-glucuronide. The major species at pH 7.3.


phosphatidylinositol 28:1(1-)

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


A 7-methyl guanosine (m7G) linked via an inverted 5'-5' triphosphate bridge to an adenosine ribonucleotide; major species at pH 7.3.


A 3-sulfolactaldehyde(1-) in which the stereocentre at position 3 has S-configuration.


Dicarboxylate anion of (7R)-7-(5-carboxy-5-oxopentanamido)cephalosporanate acid.


An alpha-amino-acid anion that is the  conjugate base of 2,4-diaminopentanoic acid.


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


Dicarboxylate anion of 2-hydroxy-3-oxoadipic acid; major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the acyl group at position 1 is unspecified while that at position 2 is specified as oleoyl


An enolate anion that is the dianion obtained by the deprotonation of the enol groups of impatienol.


divinyl chlorophyllide a(2-)

A cyclic tetrapyrrole anion that is the conjugate base of divinyl chlorophyllide a, arising from deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


An Ins-1-P-Cer-C(1-) in which the ceramide N-acyl group is specified as 2-hydroxyhexacosanoyl.


A doubly-charged nucleotide-sugar oxoanion obtained via deprotonation of the diphosphate OH groups of UDP-2-acetamido-2,6-dideoxy-beta-L-lyxo-hex-4-ulose; major species at pH 7.3.


The conjugate base of tricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.


The dicarboxylate anion of 2-methylene-3-methylsuccinic acid; major species at pH 7.3.


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


phosphatidylglycerol 36:1(1-)

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


tenuazonic acid(1-)

An organic anion that is the carbanion obtained by removal of the acidic proton from position 3 of tenuazonic acid; major speies at pH 7.3.


A monocarboxylic acid anion obtained from the deprotonation of the carboxy group and tetrazole NH group of zolasartan. Major microspecies at pH 7.3.


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


D-glucopyranuronate

A carbohydrate acid anion that is the conjugate base of D-glucopyranuronic acid.


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


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (4-nitrophenyl)acetic acid; it is the major species at pH 7.3.


2-hydroxyethylphosphonic acid(1-)

An organophosphonate oxoanion that is the conjugate base of 2-hydroxyethylphosphonic acid, arising from deprotonation of one of the two phosphonate OH groups; major species at pH 7.3.


anthranilate

An aminobenzoate that is the conjugate base of anthranilic acid, obtained by deprotonation of the carboxy group.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z,15Z,18Z,21Z)-tetracosapentaenoyl-CoA; major species at pH 7.3.


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


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


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,8Z,11Z,14Z,17Z,20Z,23Z)-hexacosaheptaenoyl-CoA; major species at pH 7.3.


D-glutaminate

An optically active form of glutaminate having D-configuration.


Any trans-3-enoyl-CoA in which the mono- and di-phosphate groups are fully deprotonated.


A dicarboxylic acid anion that is the major structure at pH 7.3 of cis,cis-2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid


A fluorobenzoate that is the conjugate base of 4-fluorobenzoic acid.


dimethylbenzoate

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


D-allose 6-phosphate(2-)

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


sedoheptulose 7-phosphate(2-)

An organophosphate oxoanion that is the dianion of sedoheptulose 7-phosphate arising from deprotonation of both OH groups from the phosphate.


The anion of cefmenoxime.


heme d trans-diol(2-)

A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of heme d trans-diol.


An oxo monocarboxylic acid anion that is the conjugate base of (9R,13R)-1a,1b-dinor-10,11-dihydro-12-oxo-15-phytoenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


glutathione S-sulfinate(2-)

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


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


all-trans-heptaprenyl diphosphate(3-)

An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of all-trans-heptaprenyl diphosphate; major species at pH 7.3.


uroporphyrin I(8-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of uroporphyrin I; major species at pH 7.3.


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


The hydroxy fatty acid anion that is formed by loss of a proton from the carboxy group of (S)-3-hydroxyisobutyric acid.


A phenolate anion resulting from the deprotonation is of the hydroxy group at position 4 of 3,4,6-trichlorocatechol. The major microspecies at pH 7.3.


name: very long-chain 3-substituted propanoyl-CoA(4-)

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


An organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 7-hydroxy-8-[(naphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid.


1-alkyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of any 1-(1Z-alkenyl)-sn-glycero-3-phospho-1D-myo-inositol; major species at pH 7.3.


name: (2S)-2-hydroxy monocarboxylic acid anion

description: A hydroxy monocarboxylic acid anion where the hydroxy group is placed at position 2 (alpha to the carboxy group) and has (S)-stereochemistry; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and phosphate functions of CMP-N-glycoloyl-beta-neuraminic acid; major species at pH 7.3.


ribavirin carboxylate

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


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


A hydroxy monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of (R)-10-hydroxyoctadecanoic acid.


D-hexose phosphate(2-)

An organophosphate oxoanion that is the dianion of any mono-phosphorylated D-hexose having a chain of six carbon atoms in the molecule. (Formula C6H11O9P).


An oxo monocarboxylic acid anion that is the conjugate base of 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cardiolipin 68:4(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 68 carbons and 4 double bonds.


Major species at pH 7.3


octadecanoid anion

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


straight-chain fatty acid anion

A fatty acid anion formed by deprotonation of the carboxylic acid functional group of a straight-chain fatty acid.


(R)-dihydrolipoate

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


Major microspecies at pH 7.3


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


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


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


phosphatidylinositol 30:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 30 carbons in total and 0 double bonds.


A monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of any 1-pyrrolinecarboxylic acid.


2-naphthyl sulfate(1-)

An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 2-naphthyl sulfate . The major microspecies at pH 7.3.


phosphatidylserine 28:0(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 0 double bonds.


A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-3-dehydro-6-deoxy-alpha-D-glucose.


A retinoid anion that is the conjugate base of all-trans-4,18-dihydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroidal acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (22E)-3-oxo-chola-4,22-dien-24-oyl-CoA; major species at pH 7.3.


Conjugate base of (S)-5-oxo-2,5-dihydro-2-furylacetic acid.


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

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


1-dodecylglycerone 3-phosphate(2-)

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


A hydroxy polyunsaturated fatty acid anion that is the conjugate base of 17(R)-HDoHE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


phosphoethanolamine

An organophosphate oxoanion that is the conjugate base of O-phosphoethanolamine arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (8Z,11Z,14Z,17Z,20Z)-hexacosapentaenoyl-CoA; major species at pH 7.3.


Major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of mannose-(1D-myo-inositol 1-phosphate)2; major species at pH 7.3.


colistimethate A(5-)

The penta-anion resulting from the removal of protons from each of the sulfonic acid groups of colistimethate A.


A 2'-deoxyribonucleoside 5'-triphosphate(4-) obtained by deprotonation of the four triphosphate OH groups of dTTP; major species at pH 7.3.


N-(fatty acyl)-L-alpha-amino acid anion

The conjugate base of a N-fatty-acyl-L-alpha-amino acid arising from deprotonation of the carboxy group; major species at pH 7.3.


A 3,4-dihydro-4-hydroxyphenylpyruvate having R-configuration.


cytidine 5'-diphosphoramidate(2-)

Major microspecies at pH 7.3


An organophosphate oxoanion that is a trianion resulting from the removal of all three protons from the diphosphate group of 5beta,9alpha,10alpha-labda-8(20),13-dien-15-yl diphosphate. The major species at pH 7.3.


Conjugate base of 4'''-demalonylsalvianin.


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


dihydroxybenzoate

A hydroxybenzoate that is the  conjugate base of dihydroxybenzoic acid.


An organic sulfamate oxoanion resulting from the removal of the proton from the sulfamic acid group of N-sulfo-D-glucosamine.


Dicarboxylate anion of (7R)-7-(4-carboxybutanamido)cephalosporanic acid.


callysponginol sulfate A(1-)

A organosulfate oxoanion that is the monoanion obtained by the deprotonation of the sulfate function of callysponginol sulfonic acid A.


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


streptothricin F acid (pH 7.3)

A primary aliphatic ammonium ion which is obtained from streptothricin F by protonation of the guanidino and amino groups and deprotonation of the carboxylic acid group.


The conjugate base of 1,6-dihydroxy-2-methylcyclohexa-2,4-dienecarboxylic acid; major species at pH 7.3.


A member of the class of naphthoates that is 1-naphthoate substituted at positions 3 and 5 by hydroxy and methyl groups respectively; major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 5,6-epoxy-(8Z,11Z,14Z)-icosatrienoyl-CoA; major species at pH 7.3.


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


The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1.


A nucleotide-sugar oxoanion that is the conjugate base of N(omega)-(ADP-D-ribosyl)-L-arginine; major species at pH 7.3.


phosphatidylinositol 48:0(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 2 double bonds.


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


cetoleate

A straight-chain, monounsaturated fatty acid anion that is the conjugate base of cetoleic acid.


A member of the class of benzoates that is the conjugate base of lasalocid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.


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


(S)-2-halocarboxylic acid anion

A carboxylic acid anion obtained by deprotonation of the carboxy group of any (S)-2-halocarboxylic acid; major species at pH 7.3.


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


An icosanoid anion that is the conjugate base of 11(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


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


ketomycolate type-1 (X')

The conjugate base of ketomycolic acid type-1 (X'). A class of mycolic acids characterized by the presence of two proximal cis-cyclopropyl groups followed by a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.


The anion formed by deprotonating bromfenac at the carboxyl proton.


(S)-lactate

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


dihydromonacolin L carboxylate

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


A 2-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 2-hydroxydodecanoic acid. The major microspecies at pH 7.3


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


Major species at pH 7.3


hexacosadienoate

A very long-chain fatty acid anion with a chain that is composed of 26 carbons and 2 double bond (positions unspecified).


(2S-3S)-versiconal hemiacetal(1-)

A phenolate anion obtained by deprotonation of the 8-hydroxy group of (2S-3S)-versiconal hemiacetal. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Major species at pH 7.3.


rubrofusarin B(1-)

A phenolate anion obtained by deprotonation of the 5-hydroxy group of rubrofusarin B. It is the major microspecies at pH 7.3.


An inositol phosphophytoceramide(1-) having a hexacosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid.


A 2,3-trans-enoyl(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,7Z,10Z,13Z,16Z)-docosapentaenoyl-CoA; major species at pH 7.3.


A cyclic tetrapyrrole anion that is the conjugate base of protochlorophyllide, arising from deprotonation of the carboxy group.


name: heparan sulfate alpha-D-glucosaminide 6-sulfate polyanion

description: A carbohydrate acid derivative anion arising from deprotonation of the carboxylic acid and sulfate groups of the repeating units of heparan sulfate alpha-D-glucosaminide 6-sulfate; major species at pH 7.3.


A medium-chain fatty acid anion that is the conjugate base of 2-oxohexanoic acid.


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


N-acetyl-L-alaninate

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


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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 8-oxo-dAMP.


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


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


A carboxylic acid anion resulting from the removal of protons from the phenolic hydroxy group and the carboxy group of 2',4',5',7'-tetrabromofluorescein.


A member of the class of menaquinones that is menaquinone-9 in which the double bond that is second nearest to the naphthoquinone moiety has been dihydrogenated and one of the terminal methyl hydrogens has been replaced by a sulf group.


An inositol phosphate oxoanion obtained by deprotonation of all but one of the phosphate and diphosphate OH groups of 3,5-bis(diphospho)-1D-myo-inositol 1,2,4,6-tetrakisphosphate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


ketomycolate type-1 (XI)

The conjugate base of ketomycolic acid type-1 (XI). A class of mycolic acids characterized by the presence of a proximal trans-cyclopropyl group followed by a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.


15-oxoprostaglandin F2alpha(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 15-oxoprostaglandin F2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of (R)-indole-3-lactic acid.


An organophosphate oxoanion that is the dianionic form of O-phosphoserine having anionic phosphate and carboxy functions and a protonated amino group.


(E,E)-piperate

Major species at pH 7.3


a lipid IVB(4-)

Major species at pH 7.3


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 2,5-dihydroxybenzoyl-CoA; major species at pH 7.3.


A hydroperoxydocosapentaenoate that is the conjugate base of (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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