Conjugate base of (9Z,11E,13S,15Z)-13-hydroperoxyoctadeca-9,11,15-trienoic acid.


An aldehydic acid anion resulting from the deprotonation of the carboxy group of (R)-3-hydroxy-4-oxobutanoic acid.


A hydroxy monocarboxylic acid anion that is the conjugate base of stipitatic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-hydroxypentahomomethioninate

Conjugate base of N-hydroxypentahomomethionine.


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


lipid IIA(3-)

The lipid oxoanion formed from lipid IIA by deprotonation of the phosphate hydroxy groups.


camphorsulfonate anion

The conjugate base of camphorsulfonic acid.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of quinoline-4-carboxylic acid.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-(2R,6S)-4-hydroxy-2-methyl-3-oxo-3,6-dihydro-2H-pyran-3(6H)-one; major species at pH 7.3.


chenodeoxycholate

Conjugate base of chenodeoxycholic acid; major species at pH 7.3.


Trianion of 1-carboxyvinyl carboxyphosphonate arising from deprotonation of the carboxy and phosphonate groups; major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol)(1-) in which the 1- and 2-acyl groups are specified as (9Z)-octadec-9-enoyl (oleoyl) and hexadecanoyl (palmitoyl) respectively; major species at pH 7.3.


farnesyl triphosphate(4-)

The organophosphate oxoanion that is the tetra-anion arising from deprotonation of all four free triphosphate OH groups of farnesyl triphosphate.


A triply-charged organophosphate oxoanion arising from deprotonation of the carboxylic acid and phosphate OH groups of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid; major species at pH 7.3.


Pentaanion of cis-3,4-didehydroadipoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


phosphatidylinositol monophosphate(3-)

An anionic phospholipid obtained by deprotonation of the phospho groups of any phosphatidylinositol trisphosphate; major species at pH 7.3.


A 6-oxo monocarboxylic acid anion which is obtained by removal of a proton from the carboxylic acid group of 6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid.


Tricarboxylate anion of of (2E)-but-2-ene-1,2,3-tricarboxylic acid.


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


asnovolin I(1-)

A monocarboxylic acid anion that is the conjugate base of asnovolin I resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


A mannosyl-alpha-1->6-inositol-1-phospho-N-(2-hydroxyacyl)-phytoceramide(1-) in which the acyl group has a chain length greater than 22 carbon atoms.


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


deoxylimononate D-ring-lactone(2-)

Dianion of deoxylimonoic acid D-ring-lactone arising from deprotonation of both carboxy groups.


Dicarboxylate anion of  5-(3-carboxy-3-oxopropenyl)-4,6-dihydroxypyridine-2-carboxylic acid; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 3'-phosphate(3-) in which both phosphatidyl acyl groups are specified as oleoyl.


An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups and protonation of the amino group of 3-hydroxy-L-glutamic acid.


The D-enantiomer of cysteinate(2-).


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


An N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-acetyl-L-glutamic acid.


methyl nogalonate(1-)

A phenolate anion resulting from the removal of a proton from the phenolic hydroxy group at position 5 of methyl nogalonate. The major species at pH 7.3.


Dianion of dTDP-6-deoxy-beta-L-mannose arising from deprotonation of both free OH groups of the diphosphate.


A monocarboxylic acid anion that is the conjugate base of 12-[(9Z)-hexadecenoyloxy]octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An anionic ganglioside obtasined by deprotonation of the carboxy groups of any alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1<->1')-ceramide; major species at pH 7.3.


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


ethoxide

An organic anion that is the conjugate base of ethanol.


D-pantetheine 4'-phosphate(2-)

Pantetheine 4'-phosphate(2-) with D (R) configuration at the 2' position. The dianion formed from D-pantetheine 4'-phosphate by deprotonation of the phosphate group; major microspecies at pH 7.3.


A carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-iodohippuric acid.


A doubly-charged organophosphate oxoanion arising from deprotonation of the carboxy and phosphate OH groups of the cationic species 5,10-(methanylylidene)tetrahydromethanopterin; major species at pH 7.3.


An oxo monocarboxylic acid anion that is the conjugate base of 8-[(1R,2R)-3-oxo-2-{(Z)-pent-2-en-1-yl}cyclopentyl]octanoic acid resulting from the deprotonation of the carboxy group; major species at pH 7.3.


Tetraanion of (1-hydroxycyclohexyl)acetyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.


An optically active form of tyrosinate(1-) having D-configuration.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA; major species at pH 7.3.


A flavonoid oxonion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of afzelin (kaempferol 3-O-alpha-L-rhamnoside). The major species at pH 7.3.


Dianion of 1-deoxy-D-altro-heptulose 7-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


acarbose 7(IV)-phosphate(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the amino group of acarbose 7(IV)-phosphate; major species at pH 7.3.


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


The organosulfate oxoanion formed by deprotonation of the sulfo group in beta-D-GlcpNAc-(1->4)-alpha-D-Glcp2Ac6SOPr.


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


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


A long-chain (3S)-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (3S,5Z)-3-hydroxytetradec-5-enoyl-CoA; major species at pH 7.3.


HPETE anion

An anion arising from deprotonation of the carboxylic acid function of any mono-hydroperoxy (e)icosatetraenoic acid (HPETE)


phosphatidylserine O-42:6(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 42 carbons and 6 double bonds.


resolvin D1(1-)

A polyunsaturated fatty acid anion that is the conjugate base of resolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of 3-hydroxy-4-methylanthranilic acid.


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


amidobenzoate

Any benzoate anion carrying one or more amido substituents.


heme d cis-diol(2-)

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


A peptide anion that is the conjugate base of L-alanyl-L-glutamic acid, arising from deprotonation of the the two carboxy groups and protonation of the amino group; major species at pH 7.3.


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


An acyl-CoA oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxypalmitoyl-CoA; principal microspecies at pH 7.3.


20-hydroxy-leukotriene B4(1-)

Conjugate base of 20-hydroxy-leukotriene B4 arising from deprotonation of the carboxylic acid function.


Major microspecies at pH 7.3.


An organophosphonate oxoanion that is the conjugate base of methylphosphonic acid, obtained by deprotonation of one of the two phosphonate OH groups.


HETE anion

An icosanoid anion arising from deprotonation of the carboxylic acid function of any hydroxyicosatetraenoic acid.


N-acetyl-D-tryptophanate

The conjugate base of N-acetyl-D-tryptophan; major species at pH 7.3.


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


N,N-dihydroxy-L-pentahomomethioninate

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


A diamino acid anion that is the conjugate base of (3S,5S)-3,5-diaminohexanoic acid, obtained by deprotonation of the carboxy group.


A chlorobenzoate obtained by deprotonation of the carboxy group of 3,5-dichlorobenzoic acid. The major species at pH 7.3.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-daunosamine, arising from deprotonation of the diphosphate group and protonation of the amino group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


A doubly-charged nucleotide-sugar oxoanion arsing from deprotonation of the diphosphate OH groups of dTDP-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose; major microspecies at pH 7.3.


cardiolipin 78:11(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 78 carbons and 11 double bonds.


Fast green FCF(2-)

An organosulfonate oxoanion obtained by the removal of three protons from Fast green FCF(1+).


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

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


A hydroxy fatty acid anion that is the conjugate base of 2-hydroxybutyric acid, obtained by deprotonation of the carboxy group.


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


laccaic acid D(1-)

A monocarboxylic acid that is the conjugate base of  laccaic acid D, obtained from the deprotonation of the carboxy group. Major species at pH 7.3.


phosphatidylglycerol 32:0(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 32 carbons in total with 0 double bonds.


An N-acyl-L-alpha-amino acid anion that is the conjugate base of N(2)-acyl-L-glutamine, obtained by deprotonation of the carboxy group; major structure at pH 7.3.


A C24:1-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (15Z)-tetracosenoyl-CoA.


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


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-bromopyruvic acid, arising from deprotonation of the carboxy group.


O,O-diethyl thiophosphate

An organic phosphorothioate anion that is the conjugate base of O,O-diethyl hydrogen thiophosphate, resulting from the deprotonation of the thiophosphate group. Major species at pH 7.3.


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


D-apionate

Major microspecies at pH 7.3


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


Major microspecies at pH 7.3.


A 1,1'-lysobisphosphatidate obtained by deprotonation of the phosphate OH group of (S,S)-bis-(2-oleoylglycero)-1-phosphate; major species at pH 7.3.


An enolate anion resulting from the deprotonation of the enol moiety of demethyldeoxyspectinabilin. The major species at pH 7.3.


An organic anion resulting from the deprotonation of the 3-hydroxy group of 2,3,4,7,9-pentahydroxy-6-methyl-1H-phenalen-1-one; major microspecies at pH 7.3.


A triply-charged organophosphate oxoanion resulting from deprotonation of the diphosphate and carboxy groups of 2,3-diacetamido-2,3-dideoxy-beta-D-mannosyl-(1->3)-N-acetyl-D-fucosaminyl undecaprenyl diphosphate.


Dicarboxylate anion of sinapoyltartronic acid.


A keto-D-gluconate that is the conjugate base of 2-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group.


aldehydic acid anion

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


Dicarboxylate anion of (3Z)-phytochromobilin.


lipid A-core(10-)

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


arbutin 6-phosphate(2-)

An organophosphate oxoanion obtained by removing two protons from the phosphate group of arbutin 6-phosphate.


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


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


A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 4-hydroxy-L-glutamic acid.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#1-CoA; major species at pH 7.3.


An organic nitrogen anion resulting from the deprotonation of the sulfonamide nitrogen of glymidine. It is the major microspecies at pH 7.3.


nickel-sirohydrochlorin a,c-diamide(6-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of nickel-sirohydrochlorin a,c-diamide; major species at pH 7.3.


lysophosphatidylinositol 16:1(1-)

A lysophosphatidyl-1D-myo-inositol(1-) in which the remaining acyl group (position not specified) contains 16 carbons and 1 double bond.


prostaglandin A3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin A3, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J2. obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 32:1(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 32 carbons in total and 1 double bond.


Major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-alpha-D-GalNAc-(1->3)-alpha-D-GalNAc-diphospho-ditrans,octacis-undecaprenol.


globostellatate C(1-)

An oxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid C.


Dicarboxylate anion of 2-methylideneglutaric acid; 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,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA; major species at pH 7.3.


ganglioside GQ1(4-)

An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of any member of the GQ1 family of gangliosides; major species at pH 7.3.


desferrialbomycin delta2(3-)

A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin delta2.


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


A furancarboxylate that is the conjugate base of 2-furoic acid.


A carbohydrate acid derivative anion that is the conjugate base of N-acetyl-beta-muramic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 6-formamidopenicillanic acid, formed by proton loss from the carboxy group.


(18S)-resolvin E2(1-)

An icosanoid anion that is the conjugate base of (18S)-resolvin E2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


prostaglandin J2(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A chlorobenzoate carrying the chloro group at position 2.


A monocarboxylic acid anion that is the conjugate base of 3-(3-hydroxyphenyl)propanoic acid.


beta-D-gentiobiosyl crocetin(1-)

A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of beta-D-gentiobiosyl crocetin. The major species at pH 7.3.


ketomycolate type-2 (XII)

The conjugate base of ketomycolic acid type-2 (XII). A class of mycolic acids characterized by the presence of a proximal alkenyl group with a trans C=C double bond and a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.


A branched-chain saturated fatty acid anion that is nonanoate with methyl branches at C-4 and C-8. Major species at pH 7.3.


Trianion of UTP arising from deprotonation of three of the OH groups from the triphosphate moiety.


The dianion obtained by removal of a proton from both carboxyic acid groups of 4-(4-deoxy-alpha-D-gluc-4-enosyluronic acid)-D-galacturonic acid.


N-carbamoyl-beta-alaninate

A monocarboxylic acid anion that is the conjugate base of N-carbamoyl-beta-alanine arising from deprotonation of the carboxy group.


An anionic phospholipid that is the conjugate base of 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine, obtained by deprotonation of the free carboxy group; major species at pH 7.3.


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


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


cardiolipin 78:13(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 78 carbons and 13 double bonds.


staphyloferrin B(2-)

A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the amino group of staphyloferrin B; major species at pH 7.3.


The trans-isomer of 2-coumarate.


prostaglandin E3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin E3, obtained by deprotonation of the carboxy group; major species at pH 7.3.


homogentisate

A dihydroxy monocarboxylic acid anion that is the conjugate base of (2,6-dihydroxyphenyl)acetic (homogentisic) acid, arising from deprotonation of the carboxy group.


An organosulfate oxoanion resulting from the removal of a proton from both the carboxy group and the sulfate group of 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose arising from deprotonation of carboxy and sulfate groups; major species at pH 7.3.


Conjugate base of 4-methylene-L-glutamic acid.


A hydroxy monocarboxylic acid anion that is the conjugate base of 9-riburonosylhypoxanthine; major species at pH 7.3.


A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine. The major species at pH 7.3.


A monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinopropionic acid. Major microspecies at pH 7.3


The carboxylate anion of a 1,2-diacyl-3-[3-(alpha-D-N-acetylneuraminyl)-beta-D-galactosyl]-sn-glycerol.


A benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) obtained by deprotonation of the phosphate OH groups of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phospho-1D-myo-inositol 4-phosphate; major species at pH 7.3.


A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14S,16Z,19Z,21S)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA.


A hexuronate that results from the removal of a proton from the carboxy group of 2-O-(4-deoxy-beta-L-threo-hex-4-enopyranuronosyl)-alpha-L-rhamnopyranose.


N-hydroxy-L-hexahomomethioninate

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


A doubly-charged organophosphate oxoanion resulting from the removal of two protons from the diphosphate group of N-acetyl-D-fucosaminyl undecaprenyl diphosphate; major species at pH 7.3.


Trianion of 2-trans,6-trans,10-trans-geranylgeranyl diphosphate.


A tricarboxylic acid trianion that is the conjugate base of oxalosuccinic acid.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of furan-2,5-dicarboxylic acid; major species at pH 7.3.


15-dehydro-prostaglandin I2(1-)

Conjugate base of 15-dehydro-prostaglandin I2.


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


D-leucinate

The D-enantiomer of leucinate.


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


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


A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 5-methyltetrahydrofolic acid; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-D-galactosamine; major species at pH 7.3.


L-fuculose 1-phosphate(2-)

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


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


4-methylumbelliferone sulfate(1-)

An organosulfate oxoanion that is the conjugate base of 4-methylumbelliferone sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


An omega-oxo fatty acid anion that is the conjugate base of 16-oxohexadecanoic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3.


A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoserine(1-) in which the alk-1-enyl group has Z geochemistry.


glycochenodeoxycholate 7-sulfate(2-)

A steroid sulfate oxoanion obtained by deprotonation of the carboxylic acid and sulfate functions of glycochenodeoxycholic acid 7-sulfate.


A tricarboxylic acid anion obtained by deprotonation of the carboxy and phosphate groups of 5,6,7,8-tetrahydrosarcinapterin; major species at pH 7.3.


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of (S)-dichlorprop. The major species at pH 7.3


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


An  organic sulfamate oxoanion that is the conjugate base of (3Z)-dec-3-en-1-ylsulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


cardiolipin 76:7(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 76 carbons and 7 double bonds.


ent-Photinus luciferin(1-)

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


The conjugate base of alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.


A dicarboxylic acid dianion obtained via deprotonation of both carboxy groups of 2-oxo-2H-pyran-4,6-dicarboxylic acid; major species at pH 7.3.


An unsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (9Z,13S,15Z)-12,13-epoxyoctadeca-9,11,15-trienoic acid.


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

Dianion of 1-palmitoyl-sn-glycerol 3-phosphate arising from deprotonation of both OH groups of the phosphate.


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


grixazone B(2-)

An L-alpha-amino-acid anion obtained by deprotonation of the two carboxy groups of grixazone B.


3'-phosphonato-5'-adenylyl sulfate(4-)

A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate and sufate groups of 3'-phosphonato-5'-adenylyl sulfate; major species at pH 7.3.


Ins-1-P-Cer D(1-)

An inositol phosphoceramide(1-) in which the acyl group is hydroxylated at position 2 and one other unspecified position while the ceramide base is hydroxylated at position 4. Major species at pH 7.3.


A penicillinate anion formed by loss of a proton from the carboxy function of benzylpenicilloyl-butylamine.


A 17,18-EETeTr(1-) in which the epoxy group has (17S,18R)-configuration.


A nucleotide-sugar oxoanion that is the trianion of UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-N(6)-(L-alanyl)-L-lysyl-D-alanyl-D-alanine having anionic diphosphate and carboxy groups and a cationic amino group.


phosphatidylserine O-36:6(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 36 carbons and 6 double bonds.


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


7,8-dihydroneopterin 3'-phosphate(2-)

Dianion of 7,8-dihydroneopterin 3'-phosphate arising from deprotonation of phosphate functions.


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


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,14Z,17Z,20Z,23Z,26Z,29Z)-3-hydroxydotriacontahexaenoyl-CoA; major species at pH 7.3.


Major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of phosphate and diphosphate OH groups of (24R,25R)-3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA; major species at pH 7.3.


Conjugate base of S-(hydroxymethyl)glutathione.


D-lysinate

An optically active form of lysinate having D-configuration.


phosphatidylserine O-38:1(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 38 carbons and 1 double bond.


Fully deprotonated form of 5-diphospho-1D-myo-inositol 1,3,4,6-tetrakisphosphate; major species at pH 7.3


A 2-acyl-sn-glycero-3-phosphoserine(1-) in which the 2-acyl group is specified as arachidonoyl.


The tetraanion of a (2R)-2-methylacyl-CoA compound.


acetoacetic acid

A 3-oxo monocarboxylic acid anion that is the conjugate base of acetoacetic acid, arising from deprotonation of the carboxy group.


A tricarboxylic acid trianion resulting from the deprotonation of all three hydroxy groups of nitrilotriacetic acid.


A glycerol 1-phosphodiester(1-) obtained by deprotonation of the phosphate OH group of any sn-glycerophosphodiester; major species at pH 7.3.


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


A branched-chain saturated fatty acid anion resulting from the deprotonation of the carboxy group of (S)-2-methylbutanoic acid. The major species at pH 7.3.


A dicarboxylic acid dianion arising from deprotonation of the carboxy groups of cis-4,5-dihydroxycyclohexa-2,6-diene-1,2-dicarboxylic acid; major species at pH 7.3.


A monoacylglycero-3-phosphoglycerol obtained by deprotonation of the phosphate OH group of any 2-acylglycero-3-phospho-1'-glycerol; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate, diphosphate and carboxy groups of nicotinic acid-adenine dinucleotide phosphate.


An icosanoid anion that is the conjugate base of 18(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans-2-hexacosenoyl-CoA.


An allaric acid anion that is the dianion resulting from the deprotonation of both the carboxy groups of allaric acid.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-acetyl-D-galactosamine 6-phosphate.


Major species at pH 7.3


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


Major microspecies at pH 7.3


The organophosphate oxoanion that is the anion formed from (S)-2-hydroxypropylphosphonic acid by loss of a single proton from the phosphate group; the major microspecies at pH 7.3.


An organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3,6,6'-tristearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3.


N-acetyl-D-glucosaminate

A monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-D-glucosaminic acid; major species at pH 7.3.


A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-2; major species at pH 7.3.


An anionic C3 cyanine-type compound having indoleinine and dihydropyrano[3,2-g]quinoline groups at either end.


20-hydroxylipoxin A4(1-)

A lipoxin anion that is the conjugate base of 20-hydroxylipoxin A4 arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


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


precursor Z(2-)

The dianion resulting from deprotonation of the phosphate group as well as removal of the acidic proton from the carbon adjacent to the 2-oxo group of precursor Z.


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


methoxymycolate type-3 (IX')

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


An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-methyl-5-(2-phosphonooxyethyl)thiazole; major species at pH 7.3.


carboxylic acid dianion

Any dianion containing at least one carboxy group.


A dihydroxy monocarboxylic acid anion that is the conjugate base of (3,5-dihydroxyphenyl)acetic acid, arising from deprotonation of the carboxy group; major microspecies at pH 7.3.


An organophosphate oxoanion obtained by removal of the proton from the phosphate group of propanoyl-AMP; major species at pH 7.3


A 6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate in which the two double bonds adopt E,E-configuration.


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


An icosanoid anion that is the conjugate base of 5-hydroperoxy-15-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 6-oxo monocarboxylic acid anion that is the conjugate base of (2E,4Z)-4-hydroxy-6-oxohexa-2,4-dienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Trianion of F420-0 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.


tetracenomycin F1(1-)

A hydroxy monocarboxylic acid anion that is the conjugate base of tetracenomycin F1, obtained by deprotonation of the carboxy group.


Needed for the new reaction: trans,octacis-decaprenyl phosphate + 5-phospho-alpha-D-ribose 1-diphosphate = trans,octacis-decaprenylphospho-beta-D-ribofuranose 5-phosphate + diphosphate


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (6Z,9Z,12Z,15Z,18Z)-3-oxotetracosapentaenoyl-CoA; major species at pH 7.3.


Alexa Fluor 488

A fluorescent dye of absorption wavelength 495 nm and emission wavelength 519 nm, derived from a 3,6-diaminoxanthenium-4,5-disulfate.


fumisoquin C(1-)

A monocarboxylic acid anion that is the conjugate base of fumisoquin C, obtained from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


An amino-acid anion that is the conjugate base of 6-aminohexanoic acid.


phosphatidylserine 40:1(1-)

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


cerotate

The conjugate base of cerotic acid.


5-deoxy-D-ribulose 1-phosphate(2-)

An organophosphate oxoanion resulting from the removal of two protons from the phosphate group of An organophosphate oxoanion resulting from the removal of two protons from the phosphate group of 5-deoxy-alpha-D-ribose 1-phosphate; major species at pH 7.3.


name: aromatic 2-oxo monocarboxylic acid anion

description: A 2-oxo monocarboxylic acid anion ontained by deprotonation of the carboxy group of any aromatic 2-oxo monocarboxylic acid; major species at pH 7.3. In the structure shown R is an aromatic group.


A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of 4,4'-disulfanyldibutanoic acid.


A hydroperoxydocosahexaenoate that is the conjugate base of (17S)-HPDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4,5-dihydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid.


A alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-[alpha-N-acetylneuraminosyl-(2->3)]-beta-D-galactosyl-(1->4)-beta-D-glucosylceramide(2-) in which the ceramide N-acyl group is specified as octadecanoyl (stearoyl).


A D-alpha-amino acid anion which is obtained from (3S)-3-hydroxy-D-aspartic acid by formal deprotonation of both carboxyl groups and protonation of the amino group.


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


A chlorophenoxyacetate anion obtained by deprotonation of the carboxy group of (2,4,5-trichlorophenoxy)acetic acid.


An inositol phosphate oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate. It is the major microspecies at pH 7.3.


phosphatidylserine O-42:0(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 42 carbons and 0 double bonds.


bacteriochlorophyllide a(2-)

A cyclic tetrapyrrole anion that is obtained from bacteriochlorophyllide a via 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 hydrogen butenedioate that is the  conjugate base of maleic acid.


dolichyl beta-D-mannosyl phosphate(1-)

An organophosphate oxoanion that is the conjugate base of dolichyl beta-D-mannosyl phosphate, arising from deprotonation of the phosphate OH group; major species at pH 7.3.


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


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


N(omega)-phosphonato-L-arginine

Conjugate base of N(omega)-phospho-L-arginine having anionic carboxy and phosphate groups and protonated amino and guanidino nitrogens.


A hydroxy monounsaturated fatty acid anion arising from the deprotonation of the carboxy group of (2E)-4-hydroxynon-2-enoic acid.


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

A phosphate monoester dianion obtained by deprotonation of the phosphate OH groups of mannose-1D-myo-inositol 1-phosphate; major species at pH 7.3.


An anionic phospholipid arising from deprotonation of all three free phosphate OH groups of 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate); major species at pH 7.


A doubly-charged nucleotide-sugar oxoanion arsing from deprotonation of the diphosphate OH groups of dTDP-3-dehydro-6-deoxy-alpha-D-galactose; major microspecies at pH 7.3.


The 1-pyrrolinecarboxylate formed by deprotonation of the carboxy group of (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid; principal microspecies at pH 7.3.


An acyl-CoA oxoanion that is the tetraanion of myristoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.


A hydroxy monocarboxylic acid anion that is the conjugate base of 5-[(E)-caffeoyl]shikimic acid. Major structure at pH 7.3


The conjugate base of S-formylglutathione having anionic carboxy groups and a protonated primary amino group.


An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the amino group of any (E)-1-(glutathione-S-yl)-omega-(methylthio)alkylhydroximate; major species at pH 7.3.


A steroid acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-4-cholestenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3


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

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


A sulfonium betaine that is the conjugate base of S-adenosyl-4-methylthio-2-oxobutanoic acid, arising from deprotonation of the carboxy group.


The conjugate base of 3',5'-di-O-methyltricetin arising from selective deprotonation of the 7-OH position; major species at pH 7.3.


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

A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any medium-chain 2,3-trans-enoyl CoA (medium-chain = chain length between C6 and C12); major species at pH 7.3.


Tetraanion of (E)-5-hydroxyferuloyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.


A N-(fatty acyl)-L-serine(1-) that is the conjugate base of N-arachidonoyl-L-serine, resulting from the derotonation of the carboxy group. Major species at pH 7.3.


An acylCoA(4-) that is the tetraanion of N-methylanthraniloyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.


The steroid acid anion formed by proton loss from the carboxy group of 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oic acid; major micro-species at pH 7.3.


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


glycerophosphoethanol anion

An anionic phospholipid obtained by deprotonation of the phospho groups of any glycerophosphoethanol; major species at pH 7.3.


phosphatidylinositol 48:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 48 carbons in total and 1 double bond.


ferroheme d1(4-)

A cyclic tetrapyrrole anion arising from deprotonation of the four carboxy groups of ferroheme d1; major species at pH 7.3.


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


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


Dianion of deamido-NAD(+) arising from deprotonation of phosphate and carboxylic acid functions.


A hydroxy monocarboxylic acid anion that is the conjugate base of 6-hydroxyphenazine-1-carboxylic acid resulting from the deprotonation of the carboxy group; major microspecies at pH 7.3.


organosulfate oxoanion

An organic anion of general formula RS(=O)2O(-) where R is an organyl group.


phenguignardate

A monocarboxylic acid anion that is the conjugate base of phenguignardic acid, obtained from the derotonation of the carboxy group. Major species at pH 7.3.


phosphatidylserine O-28:6(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 28 carbons and 6 double bonds.


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

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


Conjugate base of dehydroascorbic acid arising from removal of the acidic proton at the  C-2 position; major species at pH 7.3.


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


7-demethylmitomycin B(2-)

A phenolate anion obtained by removal of two protons from position C-8 and O-6 of 7-demethylmitomycin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


icosapentaenoate

A C20, straight-chain, polyunsaturated fatty acid anion containing five double bonds.


hydroxyoctanoate

A hydroxy fatty acid anion that is octanoate (caprylate) substituted by a hydroxy group at any position.


Dicarboxylate anion of 3,4-dihydroxyphthalic acid; major species at pH 7.3.


A hydroperoxyicosatrienoate that is the conjugate base of (8Z,11Z,14Z)-10-hydroperoxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An hydroxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of any (2R,3S)-2-alkyl-3-hydroxyalkanoic acid.


A monocarboxylic acid anion that is the conjugate base of 12-(octadecanoyloxy)octadecanoic 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 5alpha-androstane-3alpha,17beta-diol 17-glucosiduronic acid


cardiolipin 70:5(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 70 carbons and 5 double bonds.


alpha-L-iduronate

Conjugate base of alpha-L-iduronic acid.


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


A dicarboxylic acid monoanion that is the conjugate base of 2-(2-carboxyethyl)-4-methyl-5-propylfuran-3-carboxylic acid.


oxetanocin A 4-phosphate(2-)

An organophosphate oxoanion resulting from the removal of both of the protons from the dihydrogen phosphate group of oxetanocin A 4-(dihydrogen phosphate).


Major species at pH 7.3.


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


Conjugate base of 12alpha-hydroxy-3-oxochola-4,6-dien-24-oic acid.


A monocarboxylic acid anion that is the conjugate base of 6-ketopiperidine-2-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


Delta(11)-fatty acyl-CoA(4-)

Any unsaturated fatty acyl-CoA(4-) in which the fatty acyl group contains a double bond at position 11.


A (7Z,10Z,13Z,15E,19Z)-17-hydroperoxydocosapentaenoate in which the chiral centre at position 17 has S-configuration. An intermediate of specialised proresolving mediators.


Conjugate base of alpha,beta-didehydrotryptophan.


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


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


phosphatidylserine 32:5(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 32 carbons in total and 5 double bonds.


alpha-D-glucose 1,6-bisphosphate(4-)

A quadruply-charged organophosphate oxoanion arising from deprotonation of the phosphate OH groups of alpha-D-glucose 1,6-bisphosphate; 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)-3-hydroxydocosenoyl-CoA; major species at pH 7.3.


L-erythrulose 1-phosphate(2-)

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


A hydroxy monocarboxylic acid anion that is the conjugate base of N-[(9-beta-D-ribofuranosylpurin-6-yl)carbamoyl]threonine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The organophosphate oxoanion that is the tetraanion of TTP arising from deprotonation of the three triphosphate OH groups; major species at pH 7.3.


A hexuronate that results from the removal of a proton from the carboxy group of 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid.


guanosine 3'-monophosphate(2-)

A nucleoside 3'-phosphate(2-) obtained by deprotonation of the phosphate OH groups of guanosine 3'-monophosphate (GMP); mjor species at pH 7.3.


An organophosphate oxoanion that is the tetraanion of beta-D-fructofuranose 2,6-bisphosphate.


A sulfur-containing amino-acid anion that is the conjugate base of cysteine, obtained by deprotonation of the carboxy group.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxochola-4,22-dien-24-oyl-CoA; 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,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA; major species at pH 7.3.


An octadecadienoyl-CoA(4-) resulting from the deprotonation of phosphate and diphosphate functions of linoleoyl-CoA.


A 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoate in which the acyclic double bond has Z-geometry.


A 5-oxo monocarboxylic acid anion that is the conjugate base of 1-deoxy-11-oxopentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of (S)-3-methyl-2-oxopentanoic acid.


oxidized Photinus luciferin(1-)

The conjugate base of oxidized Photinus luciferin arising from removal of the acidic proton at the 5-position of the thiazol-4-one ring; major species at pH 7.3.


Conjugate base of erythro-3-methyl-L-aspartic acid, major microspecies at pH 7.3.


epoxy monocarboxylic acid anion

Any monocarboxylic acid anion containing at least one epoxy group.


An N-acyl-(2S)-hydroxyglycinate resulting from the deprotonation of the carboxy group of N-decanoyl-(2S)-hydroxyglycine. The major species at pH 7.3.


N-methylethanolaminium phosphate(1-)

Conjugate base of N-methylethanolamine phosphate having an anionic phosphate group and a protonated amino group; major species at pH 7.3.


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


An (omega-1)-hydroxy fatty acid anion that is the conjugate base of 13-hydroxymyristic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 3-hydroxy fatty acid anion that is the conjugate base of 3-hydroxydecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of (9Z)-12-(phosphonooxy)octadecenoic acid; major species at pH 7.3.


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


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


N-hydroxyhexahomomethioninate

Conjugate base of N-hydroxyhexahomomethionine.


hydroxydocosapentaenoate

A docosanoid anion that is any docosapentaenoate carrying a hydroxy substituent on its carbon chain.


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


vanillyl alcohol monosulfate(1-)

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any vanillyl alcohol monosulfate.


2-carboxyacyl CoA(5-)

An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of any 2-carboxyacyl CoA; major species at pH 7.3.


A long-chain fatty acid anion that is the conjugate base of 5-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phospohate OH groups of pApA. Major microspecies at pH 7.3.


A phenolate anion obtained by deprotonation of one of the phenolic hydroxy groups of any 2-acyl-4-prenylphloroglucinol.


ochratoxin A(1-)

A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


An inositol phosphomannosylinositol phosphophytoceramide(2-) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and no additional hydroxylation of the very-long-chain fatty acid.


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


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of myricetin 3-O-[(6-O-caffeoyl-beta-D-glucosyl)-(1->2)-alpha-L-rhamnoside]. The major species at pH 7.3.


A bile acid anion that is the conjugate base of 3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid, obtained by deprotonation of the carboxy group.


2-hydroxy carboxylate

The conjugate base of a 2-hydroxy carboxylic acid.


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


An organophosphate oxoanion resulting from the deprotonation of the carboxy group and the phosphate OH groups of 1-phospho-alpha-D-galacturonic acid. The major species at pH 7.3.


prostaglandin D1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#16, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N-octanoylglycinate

An N-acylglycinate resulting from the deprotonation of the carboxy group of N-octanoylglycine. The conjugate base of N-octanoylglycine; major species at pH 7.3.


trilinoleoyl 2-monolysocardiolipin(2-)

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


Conjugate base of 2-oxopropyl-coenzyme M arising from deprotonation of the sulfonate function.


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


Major microspecies at pH 7.3


name: heparan sulfate alpha-D-N-sulfoglucosamine 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 N-sulfate; major species at pH 7.3.


A hydroxy monocarboxylic acid anion that is obtained by removal of a proton from the carboxyl group of 2-O-(alpha-D-glucopyranosyl)-D-glyceric acid.


Conjugate base of (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoic acid.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate and diphosphate groups of 3-oxo-23,24-bisnorchola-1,4-dien-22-oyl-CoA; major species at pH 7.3.


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


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


monacolin L carboxylate

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


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


An organophosphate oxoanion obtained by removal of the protons from the carboxy and phosphate groups of 2-O-(alpha-D-glucopyranosyl)-3-O-phospho-D-glyceric acid; major species at pH 7.3.


difluoroacetate

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


Tricarboxylate anion of (2S,3S)-2-hydroxytridecane-1,2,3-tricarboxylic acid.


alpha-D-glucuronate

A D-glucopyranuronate that has alpha configuration at the anomeric centre.


An octadecadienoyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,9E)-octadecenoyl coenzyme A; major species at pH 7.3.


nucleoside 5'-triphoshate(3-)

Trianion of nucleoside triphosphate arising from deprotonation of three of the four free triphosphate OH groups.


N-acylethanolamine phosphate(2-)

An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of any N-acylethanolamine.


A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate in which the chiral centre has S configuration.


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


A polyunsaturated fatty acid anion that is the conjugate base of (3E,5Z)-dodecadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


lactobionate

A gluconate that is the conjugate base of lactobionic acid arising from the deprotonation of the carboxy group.


A polymer composed of repeating 4-ethylbenzenesulfonate groups.


cochalate

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


An N-acetylphosphinatothricinate(2-) obtained by deprotonation of carboxylic acid and phosphinate functions of N-acetyl-L-phosphinothricin; major species at pH 7.3.


calcidiol 3-O-(beta-D-glucuronate)

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


An organosulfonate oxoanion that is the conjugate base of methyl-CoM, arising from deprotonation of the sulfo group; major species at pH 7.3.


methyl-4-hydroxybenzoate O-sulfate(1-)

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


3-vinylbacteriochlorophyllide d(1-)

A cyclic tetrapyrrole anion that is the conjugate base of 3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


6-trans-leukotriene B4(1-)

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


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


A C76 alpha-mycolate having a C52 meromycolic chain with two cis cyclopropyl functions and a saturated C24 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


A 1-phosphatidyl-1D-myo-inositol 4-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate); major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of CDP-D-ribose. Major microspecies at pH 7.3.


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


A polyunsaturated fatty acid anion that is the conjugate base of (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


taurodeoxycholate

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


A mannaric acid anion that is a dianion obtained by the deprotonation of both the carboxy groups of mannaric acid.


phenylacetate

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


hyocholate 6-O-(beta-D-glucuronide)(2-)

A steroid glucuronide anion that is the conjugate base of hyocholic acid 6-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.


A bile acid anion that is the conjugate base of 3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of chenodeoxycholate. It is the major microspecies at pH 7.3.


A (2S)-2-methylacyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of (2S)-2-methyltetradecanoyl-CoA; major species at pH 7.3.


The conjugate base of 1,4,5,6-tetrahydro-6-oxonicotinic acid; major species at pH 7.3.


(R)-mandelate

A mandelate that is the conjugate base of (R)-mandelic acid.


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 two non-stoichiometric O-acetyl groups, and one non-stoichiometric hydroxybutanoyl group. Note thet the structure shown and its molfile represent only one of the possible substitution patterns.


henicosanoate

A long-chain fatty acid anion resulting from the deprotonation of the carboxy group of henicosanoic acid. Major species at pH 7.3.


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


An (omega-1)-hydroxy fatty acid anion that is the conjugate base of 19-HETrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


undecaprenyl phosphate(2-)

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


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


D-erythritol 4-phosphate(2-)

Dianion of D-erythritol 4-phosphate arising from deprotonation of both OH groups of the phosphate.


The conjugate base of (+)-epitaxifolin arising from selective deprotonation of the 7-OH group; major species at pH 7.3.


valerenate

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


A organophosphonate oxoanion obtained by deprotonation of the carboxy and one of the ohopsphonate OH groups of phosphonoformic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminide; major species ar pH 7.3.


glycocholic acid glucuronide anion

A steroid acid anion obtained by deprotonation of at least one of the carboxy groups of any glycocholic acid glucuronide.


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

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


ganglioside GT1(3-)

An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of any member of the GT1 family of gangliosides; major species at pH 7.3.


Tricarboxylate anion of homocitric acid.


An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 7-hydroxy-8-{[4-(phenyldiazenyl)phenyl]diazenyl}naphthalene-1,3-disulfonic acid.


A HPETE anion that is the conjugate base of 15-HPETE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


Dianion of bis-gamma-glutamylcystine arising from deprotonation of all four carboxy groups and protonation of both amino groups; major species at pH 7.3.


fusidate

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


A 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylate(3-) that is the  conjugate base of (2Z,4E)-5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid


A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy groups of nickel-sirohydrochlorin; major species at pH 7.3.


A long-chain fatty acid anion that is the conjugate base of 8-PAHSA, obtained by deprotonation of the 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,21Z,24Z,27Z,30Z,33Z)-hexatriacontahexaenoyl-CoA; major species at pH 7.3.


An alpha-D-GalpA-(1->4)-D-GalpA(2-) in which both galacturonate units have alpha-D configuration.


A quadruply-charged carboxyalkyl phosphate oxoanion resulting from global deprotonation of O-phospho-3-sulfolactic acid; major microspecies at pH 7.3.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-aci-nitropropanoic acid.


A peptide anion obtained by deprotonation of the carboxy groups of Asp-Gly-Glu.


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


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


A bile acid anion that results from the deprotonation of the carboxy group of chenodeoxycholic acid-3-O-beta-D-glucoside; Major species at pH 7.3.


16-oxoresolvin D2(1-)

A docosanoid anion that is the conjugate base of 16-oxoresolvin D2, 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 (11Z,14Z,17Z,20Z)-3-oxohexacosatetraenoyl-CoA; major species at pH 7.3.


An androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.


A steroid acid anion that is the conjugate base of 4beta-methylzymosterol-4alpha-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


dichlorochromopyrrolate

Dicarboxylate anion of dichlorochromopyrrolic acid.


A quinolinemonocarboxylate that is the conjugate base of brequinar arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


phosphatidylserine 26:2(1-)

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


acyl monophosphate(2-)

The dianion of an acyl monophosphate compound arising from deprotonation of both phosphate OH groups; major species at pH 7.3.


omega-4 unsaturated fatty acyl-CoA(4-)

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


N-acetyl-L-histidinate

The conjugate base of N-acetyl-L-histidine; major species at pH 7.3.


Dianion of beta-D-fructofuranosyl alpha-D-mannopyranoside 6(F)-phosphate arising from deprotonation of both phosphate OH groups.


An organophosphate oxoanion obtained by deprotonation of the phosphonate OH and three of the four triphosphate OH groups of alpha-D-ribose 1-methylphosphonate 5-triphosphate.


pyridoxamine 5'-phosphate(1-)

An organophosphate oxoanion that is the conjugate base of pyridoxamine 5'-phosphate.


A nucleoside 5'-diphosphate(3-) arising from deprotonation of the three triphosphate OH groups of cytidine 5'-diphosphate (CDP); major species at pH 7.3.


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


The conjugate base of 3-cyano-L-alanine; major species at pH 7.3.


phosphonatoformate

The trianion resulting from the removal of three protons from phosphonoformic acid.


N,N-dihydroxy-L-valinate

An N,N-dihydroxy-alpha-amino-acid anion resulting from removal of a proton from the carboxylic acid group of N,N-dihydroxy-L-valine.


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


1D-myo-inositol 1,4,5-trisphosphate(6-)

Hexaanion of 1D-myo-inositol 1,4,5-trisphosphate arising from glabal deprotonation of the phosphate OH groups; major species at pH 7.3.


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


An ionic phospholipid obtained by deprotonation of the free carboxy group of 2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine; major species at pH 7.3.


A straight-chain fatty acid anion and the conjugate base of 6-oxohexanoic acid, formed by deprotonation of the carboxylic acid group.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA.


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


A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 9 prenyl units; major species at pH 7.3.


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


Conjugate base of L-arogenic acid arising from deprotonation of the two carboxy groups and protonation of the amino group; major species at pH 7.3.


Ins-1-P-Cer-A 34:0(1-)

An Ins-1-P-Cer A(1-) in which the acyl group and the ceramide base contain a total of 34 carbons and 0 double bonds. Major species at pH 7.3.


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


A monocarboxylic acid anion that is the conjugate base of 3-mercapto-2-mercaptomethylpropanoic acid; major species at pH 7.3.


phosphatidylserine O-30:1(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 30 carbons and 1 double bond.


allodeoxycholate

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


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

An organophosphate oxoanion that is the dianion of beta-D-fructofuranose 6-phosphate arising from deprotonation of the phosphate OH groups.


A monocarboxylic acid anion that is the conjugate base of 1-naphthaleneacetic acid, arising from the deprotonation of the carboxy group; major species at pH 7.3.


1D-myo-inositol 2,3-bisphosphate(4-)

An inositol phosphate oxoanion obtained by deprotonation of the four phosphate OH groups of 1D-myo-inositol 2,3-bisphosphate; major species at pH 7.3.


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


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


A dicarboxylic acid anion obtained by deprotonation of the two carboxy groups and the 7-hydroxy group of salvianin.


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


iminoaspartate

Dicarboxylate anion arising from deprotonation of both carboxylic acid groups of iminoaspartic acid.


Tetraanion of 2-methoxybenzoyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.


bis(beta-glucosyluronate)bilirubin

Conjugate base of bis(beta-glucosyluronic acid)bilirubin.


propanoyl phosphate(2-)

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


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of phenyl 5-phospho-alpha-D-ribofuranoside.


An anionic ceramide phosphoinositol compound having a tetracosanoyl group attached to the ceramide nitrogen and no hydroxylation at C-4 of the long-chain base, or at C-2 or C-3 of the very-long-chain fatty acid. Major species at pH 7.3.


Conjugate base of erythro-5-phosphonooxy-L-lysine in which the carboxy and phospho groups are anionic and both primary amino groups are cationic; major species at pH 7.3.


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


A dicarboxylic acid monoanion that is the conjugate base of N(2)-succinyl-L-ornithine.


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


phosphatidylserine 34:2(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 2 double bonds.


A 6-sulfo-D-quinovose(1-) that has alpha configuration at the anomeric centre.


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


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 20 carbons and 1 double bond.


is_a CHEBI:57318


1-octadecylglycerone 3-phosphate(2-)

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


7(1)-hydroxychlorophyllide a(2-)

A cyclic tetrapyrrole anion that is derived from 7(1)-hydroxychlorophyllide a via 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.).


octadecadienoate

A long-chain, unsaturated fatty acid anion formed by deprotonation of the carboxy group of any octadecadienoic acid; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (9Z)-pentadecenoyl-CoA.


An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 1-alpha-D-galactosyl-sn-glycerol 3-phosphate; major species at pH 7.3.


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


A monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (2E)-3-methylhex-2-enoic acid.


An anionic ganglioside that is the conjugate base of alpha-Neu5Gc-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer arising from deprotonation of the glycoloylneuraminosyl carboxy group; major species at pH 7.3.


L-asparaginate

An optically active form of asparaginate having L-configuration.


Conjugate base of 6-imino-5-oxocyclohexa-1,3-dienecarboxylic acid.


etidronic acid(2-)

An organophosphonate dianion resulting from the removal of a proton from one of the hydroxy groups of each of the phosphonic acid groups of etidronic acid. The major species at pH 7.3.


An unsaturated fatty acid anion that is the conjugate base of (8Z,11Z,14Z)-heptadecatrienoic acid, arising from deprotonation of the carboxy group.


A dicarboxylic acid dianion resulting from deprotonation of both carboxy groups of 2,3,4,5-tetrahydrodipicolinic acid.


A 3-(3-sn-phosphatidyl)-sn-glycerol 1-phosphate(3-) arising from deprotonation of all three free phosphate OH groups of 1,2-dioleoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate); major species at pH 7.3.


soyasaponin III(1-)

The monocarboxylic acid anion formed by removal of a proton from the carboxy group of soyasaponin III. It is the major microspecies present at pH 7.3.


N(omega)-methyl-L-argininate

A L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N(omega)-methyl-L-arginine.


Conjugate base of (1S,3R,4S)-3,4-dihydroxycyclohexane-1-carboxylic acid.


1-oleylglycerone 3-phosphate(2-)

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


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


A hydroxy fatty acid anion that is the conjugate base of (3R,6S)-6-hydroxy-3,7-dimethyloctanoic acid, arising from deprotonation of the 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,11Z,14Z)-icosatrienoyl-CoA; major species at pH 7.3.


A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of 2-hydroxy-AMP. Major microspecies at pH 7.3.


cis,trans-muconate

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


coenzyme B(3-)

Trianion of coenzyme B.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-beta-L-evernosamine; major species at pH 7.3.


aminodeoxyfutalosinate

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


An alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1<->1')-ceramide(2-) obtained by deprotonation of the carboxy groups of alpha-Neu5NAc-(2->8)-alpha-Neu5NAc-(2->3)-beta-D-Gal-(1<->1')-N-acylsphingosine.


An organosulfonate oxoanion obtained by deprotonation of the sulfo group of 5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzene-1-sulfonic acid.


A monocarboxylic acid anion that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxyphenylacetic acid.


guanyl deoxyribonucleotide oxoanion

An organophosphate oxoanion that is a guanyl 2'-deoxyribose with one or more deprotonated phosphates on either or both of the 5'- or 3'-hydroxy groups.


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


An organosulfonate oxoanion obtained by deprotonation of the sulfo group of 3-[(4-anilinophenyl)diazenyl]benzene-1-sulfonic acid.


L-argininate

An L-alpha-amino acid anion that is the conjugate base of L-arginine; obtained by deprotonation of the carboxy group.


undecenoate

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


name: lipid A 1-(2-aminoethyl diphosphate)(3-)

description: A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of lipid A 1-(2-aminoethyl diphosphate); major species at pH 7.3.


fructoselysine 6-phosphate(1-)

An L-alpha-amino acid anion comprising fructoselysine 6-phosphate having deprotonated carboxy and phosphate groups and both amino groups protonated; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


a lipid IVA(4-)

Tetraanion of a lipid IVA with unspecified (3R)-3-hydroxyacyl chains.


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


A monocarboxylic acid anion that is the conjugate base of N-acetyl-3-methyl-L-histidine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


juvenile hormone I carboxylate

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


An acyl-CoA(4-) that is the tetraanion of 3alpha,7alpha,12alpha-trihydroxy-24-oxo-5beta-cholestan-26-oyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.


A carboxypyridinecarboxylate that is the conjugate base of quinolinic acid.


L-dihomomethionine zwitterion

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


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


carbocyclic fatty acyl-CoA(4-)

Any fatty acyl-CoA containing a ring composed of carbon atoms.


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


D-fructose 6-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of both phosphate OH groups of D-fructose 6-phosphate.


alpha-muricholate 7-sulfate(2-)

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


icosanoid anion

The carboxylic acid anion that is the conjugate base of an icosanoid, formed when the carboxy group is deprotonated.


A (3S)-3-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of (3S)-3-hydroxytetradecanoic acid. The major species at pH 7.3.


A 2-hydroxy fatty acid anion that is the conjugate base of 2,2-dihydroxy-3-methylbutanoic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


The organophosphate oxoanion formed from 2-monolysocardiolipin by deprotonation of the two phospho groups; principal species present at pH 7.3


A monocarboxylic acid anion that is the conjugate base of phenazine-1-carboxylic acid; major species at pH 7.3.


D-erythritol 1-phosphate(2-)

An organophosphate oxoanion resulting from the deprotonation of the phosphate OH groups of D-erythritol 1-phosphate; major species at pH 7.3.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-galactosaminide; major species ar pH 7.3.


An acyl-CoA oxoanion that is the pentaanion of 5-hydroxy-2-furoyl-CoA arising from deprotonation of phosphate and diphosphate functions as well as the hydroxyfuran moiety.


Major species at pH 7.3.


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of cis-dihomoaconitic acid; major species at pH 7.3.


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


ursocholate

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


The anion resulting from the removal of the proton fron the purine ring of 8-chlorotheophylline.


polyunsaturated fatty acid anion

Any unsaturated fatty acid anion containing more than one C-C unsaturated bond.  Major species at pH 7.3.


4-phosphonato-L-aspartic acid(2-)

Dianionic form of 4-phosphonato-L-aspartic acid having carboxylic acid and phosphate functions in anionic form and a protonated nitrogen.


Major microspecies at pH 7.3.


An organic anion obtained by deprotonation of one of the hydroxy groups of (R)-demethyl-4-deoxygadusol. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


A polyunsaturated fatty acid anion that is the conjugate base of 20-oxoarachidonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 3,4-dihydroxy-5-polyprenylbenzoate in which the polyprenyl chain contains 7 prenyl units; major species at pH 7.3.


omega-9 unsaturated fatty acyl-CoA(4-)

An unsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any omega-9 unsaturated fatty acyl-CoA; major species at pH 7.3.


unsaturated fatty acyl-CoA(4-)

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


An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of peonidin; major species at pH 7.3.


A phenolate anion that results from the removal of a proton from the hydroxy group at position 7 of 5-hydroxypseudobaptigenin.


magnesium orange G(2-)

A cationic fluorescent dye derived from a bis-sulfonated phenylazonaphthalene.


The organophosphate oxoanion formed from any monolysocardiolipin by deprotonation of the two phospho groups; principal species present at pH 7.3


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


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl groups are specified as hexadecanoyl (palmitoyl) and 9Z,12Z-octadecadienoyl (linoleoyl) respectively; major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA.


petroselaidate

An unsaturated fatty acid anion resulting from the deprotonation of the carboxy group of petroselaidic acid. The major species at pH 7.3.


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


An organic anion that is the conjugate base of dehydro-D-arabinono-1,4-lactone, arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3.


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


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


A monoalkylglycerophosphoglycerol(1-) obtained by deprotonation of the phospho group of any 1-alkylglycero-3-phosphoglycerol; major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (9Z,12Z)-hexadeca-9,12,15-trienoyl-CoA; major species at pH 7.3.


The organophosphate oxoanion that is 2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate protonated to pH 7.3


An N(2)-acyl-L-glutaminate resulting from the deprotonation of the carboxy group of N(2)-[4-(indol-3-yl)butanoyl]-L-glutamine. The major species at pH 7.3.


The monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoic acid.


A 1-(alk-1-enyl)-glycero-3-phosphoglycerol(1-) obtained by deprotonation of the phospho group of any 1-(Z-alk-1-enyl)-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3.


The organic anion resulting from the removal of a proton from the hydrogen-bearing nitrogen atom of azumolene.


Decaanion of 1D-myo-inositol 1,2,3,4,5-pentakisphosphate arising from global deprotonation of the phosphate groups.


A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the three diphosphate OH groups of 2'-deoxy-5-(hydroxymethyl)cytidine 5'-diphosphate ; major species at pH 7.3.


N-carbamoyl-L-alpha-amino acid anion

A carboxylic acid anion that is the conjugate base of N-carbamoyl-L-alpha-amino acid.


A HETE anion that is the conjugate base of 10-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A lysophosphatidyl-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1-(10Z)-heptadecenoyl-sn-glycero-3-phospho-1D-myo-inositol.


An organic anion obtained by selective deprotonation of the 3- and 5-hydroxy groups of malvidin; major species at pH 7.3.


A tricarboxylic acid dianion obtained by deprotonation of two of the three carboxy groups of citric acid.


A dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21R)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A  tricarboxylic acid trianion obtained by the deprotonation of the three carboxy groups of gamma-carboxy-L-glutamic acid.


A steroid glucuronide anion that is the conjugate base of 5alpha-dihydrotestosterone 17-O-[beta-D-glucuronosyl-(1->2)-glucuronide] arising from deprotonation of the carboxylic acid functions; major species at pH 7.3.


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


name: hydroperoxy polyunsaturated fatty acid anion

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


An organic anion obtained by deprotonation of the enolic hydroxy group at position 3 of any 3,4-didehydropyranoside. It is the major species at pH 7.3. (according to MarvinSketch version 16.1.18.0).


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


A C79 alpha-mycolate having a C53 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


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

Dianion of beta-L-arabinose 1-phosphate arising from deprotonation of both OH groups of the phosphate.


An 18-HEPE(1-) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


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


A branched-chain amino-acid anion that is the conjugate base of 3-aminobutyric acid, obtained by deprotonation of the carboxy group.


prostaglandin F3alpha(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin F3alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any N-acyl-1-[(1Z)-alkenyl]-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


prostaglandin B3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Trianion of 3-phosphoshikimic acid arising from deprotonation of the phosphate and carboxy groups; major species at pH 7.3.


name: oxidised coenzyme F420-(gamma-Glu)n polyanion

description: A polyanionic polymer derived from oxidised coenzyme F420-(gamma-Glu)n. Major microspecies at pH 7.3


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


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavonoid moiety of myricetin 3-O-beta-D-glucosyl-(1->2)-beta-D-glucoside. The major species at pH 7.3. Identified in PMID 29667287 Fig. S17, peak 8.


medium-chain fatty acid anion

A fatty acid anion resulting from the deprotonation of the carboxylic acid moiety of a medium-chain fatty acid.


A steroid acid anion that is the conjugate base of 3-oxo-23,24-bisnor-chol-4-en-22-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


asperaculane G(1-)

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


A steroid glucuronide anion that is the conjugate base of 2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


Any anionic phospholipid in which the phosphatidyl fatty acyl group at position 2 has a Z-double bond across positions 9 and 10.


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


Major species at pH 7.3


An oxodocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-oxodocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A penicillinate anion that is the conjugate base of tazobactam, obtained by deprotonation of the carboxy group.


diethyldithiocarbamate

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


Dianion of N-succinyl-LL-2,6-diaminopimelic acid having anionic carboxy groups and an ionic primary amino group; major species at pH 7.3.


D-prolinate

An optically active form of prolinate having D-configuration.


An organosulfate oxoanion that is the conjugate base of 2-palmitoyl-3-stearoyl-2'-sulfo-alpha,alpha-trehalose arising from deprotonation of the sulfate OH group; major species at pH 7.3.


L-valinate

The L-enantiomer of valinate.


Conjugate base of N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine.


phosphatidylserine O-44:3(1-)

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


phosphatidylserine 36:0(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 0 double bonds.


(3E)-dec-3-en-1-yl sulfate

An organosulfate oxoanion that is the conjugate base of (3E)-dec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


A dotriacontahexaenoate that is the conjugate base of (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


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


ochratoxin B(1-)

A monocarboxylic acid anion that is the conjugate base of ochratoxin B resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-beta-D-fucofuranose.


An N(2)-acyl-L-glutaminate resulting from the deprotonation of the carboxy group of N(2)-(3-hydroxy-3-methylhexanoyl)-L-glutamine. The major species at pH 7.3.


phloretate

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


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


kaempferol-3-olate 7-methyl ether

Major species at pH 7.3


An inositol phosphoceramide(1-) in which the acyl group is hydroxylated at position 2 and the ceramide base is hydroxylated at position 4.


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


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 8,9-epoxy-(5Z,11Z,14Z)-icosatrienoyl-CoA; major species at pH 7.3.


genistein 7-O-beta-D-glucoside(1-)

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


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


A monocarboxylic acid anion obtained by deprotonation of the carboxy and one of the phosphonate OH groups of 3-phosphonopyruvic acid.


The monocarboxylic acid anion obtained via deprotonation of the carboxy group of 5,6,7,8-tetrahydropterin-6-carboxylic acid; major species at pH 7.3.


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


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


A 2-carboxyacyl CoA(5-) arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 2-carboxypalmitoyl-CoA; major species at pH 7.3.


all-trans-nonaprenyl diphosphate(3-)

A triply-charged organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of all-trans-nonaprenyl diphosphate; major species at pH 7.3.


8-desmethylnovobiocic acid(1-)

An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of 8-desmethylnovobiocic acid.


Dianion of ADP-D-glycero-D-manno-heptose; major species at pH 7.3.


An organosulfate oxoanion obtained by deprotonation of the sulfate group of any 1,2-diacyl-3-(3-O-sulfo-beta-D-galactosyl)glycerol; major species at pH 7.3.


Photinus luciferin(1-)

The conjugate base of Photinus luciferin; major species at pH 7.3.


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


Major species at pH 7.3.


nalidixic acid anion

A monocarboxylic acid anion that is the conjugate base of nalidixic acid; major species at pH 7.3.


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,16Z,19Z,22Z,25Z,28Z,31Z)-3-hydroxytetratriacontahexaenoyl-CoA; major species at pH 7.3.


beta-D-fructuronate

The beta-anomer of D-fructuronate.


An anionic phospholipid that is the conjugate base of 2-O-(alpha-D-mannopyranosyl)-6-O-(6-acyl-alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol, obtained by deprotonation of the phosphate group; major species at pH 7.3.


1,1-diunsubstituted alkanesulfonate

An alkanesulfonate in which the carbon at position 1 is attached to at least two hydrogens.


N-iminiumylmethyl-L-aspartate

Conjugate base of N-formimidoyl-L-aspartic acid.


beta-L-Ara4N-(KDO)2-lipid IVA(4-)

The organophosphate oxoanion formed from beta-L-Ara4N-(KDO)2-lipid IVA by deprotonation of the carboxy and phosphate groups. Major microspecies at pH 7.3.


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


N-feruloylglycinate

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


An  oxo dicarboxylate that is the conjugate base of 4-oxohex-2-enedioic acid.


A triply-charged organophosphate oxoanion obtained by deprotonation of the free phosphate and diphosphate OH groups of 6-O-(1-glycerylphospho)-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl undecaprenyl diphosphate; 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,15Z,18Z,21Z,24Z,27Z)-3-hydroxytriacontapentaenoyl-CoA; major species at pH 7.3.


N,N-dihydroxy-L-isoleucinate

An N,N-dihydroxy-alpha-amino-acid anion resulting from removal of a proton from the carboxylic acid group of N,N-dihydroxy-L-isoleucine.


An organic sulfamate oxoanion that is the conjugate base of (9-methyldecyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


oxolinate

Conjugate base of oxolinic acid.


A galactosylceramide sulfate(1-) in which the ceramide N-acyl group contains 24 carbons and 1 double bond.


Conjugate base of 5-methylthio-2-oxopentanoic acid.


A monocarboxylic acid anion that is the conjugate base of 16-sinapoyloxypalmitic acid resulting from the deprotonation of the carboxy group.