dolichyl D-xylosyl phosphate(1-)

Conjugate base of dolichyl D-xylosyl phosphate; major species at pH 7.3.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,13Z,16Z,19Z,22Z)-3-hydroxyoctacosatetraenoyl-CoA; major species at pH 7.3.


coenzyme alpha-F420-3(6-)

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


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


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


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


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


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


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


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


name: straight-chain saturated fatty acid anion

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


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


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


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


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


glycocholate sulfate anion

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


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


15-dehydro-prostaglandin E1(1-)

Conjugate base of 15-dehydro-prostaglandin E1.


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


keto-D-gluconate

A ketogluconate of D-configuration


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


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


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


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


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


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


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


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


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


L-alpha-glutamyl phosphate(2-)

Dianion of L-alpha-glutamyl phosphate.


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


fatty acid anion 4:0

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


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


clavulanate

The conjugate base of clavulanic acid.


CHLORIMURON ETHYL

An ethyl ester resulting from the formal condensation of the carboxy group of chlorimuron with ethanol. A proherbicide for chloimuron, it is used as herbicide for the control of broad-leaved weeds in peanuts, soya beans, and other crops.


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


phosphatidylinositol 42:1(1-)

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


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


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

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


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


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


N-hydroxydihomomethioninate

Conjugate base of N-hydroxydihomomethionine.


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


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


mevinolinate

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


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


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

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


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


3-hydroxy fatty acyl-CoA(4-)

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


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


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


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


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


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


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


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


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


is_a CHEBI:65055 is_a CHEBI:74241


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


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group on the Neu5Ac residue of beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer. It is the major species at pH 7.3.


A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of methylmalonic acid.


21-hydroxypregnenolone disulfate anion

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


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


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


phosphatidylserine O-28:5(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 28 carbons and 5 double bonds.


sn-glycerol 3-phosphate(2-)

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


prostaglandin A2(1-)

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


phosphatidylinositol 36:4(1-)

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


methyl sulfate(1-)

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


trioxilin B3(1-)

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


o-cresol sulfate

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


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


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


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


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


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


phosphatidylserine O-36:0(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 36 carbons and 0 double bonds.


gondoate

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


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

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


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


xanthurenate

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


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


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


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

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


octacosahexaenoate

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


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


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


Conjugate base of 4-hydroxyphenylglyoxylic acid.


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


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


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


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


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


N-acetylmethioninate

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


carboxylato-PTIO

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


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

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


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


phosphatidylinositol 28:1(1-)

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


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


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


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


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


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


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


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


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


divinyl chlorophyllide a(2-)

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


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


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


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


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


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


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


oxalate

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


phosphatidylglycerol 36:1(1-)

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


tenuazonic acid(1-)

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


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


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


D-glucopyranuronate

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


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


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


2-hydroxyethylphosphonic acid(1-)

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


anthranilate

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


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


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


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


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


D-glutaminate

An optically active form of glutaminate having D-configuration.


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


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


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


dimethylbenzoate

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


D-allose 6-phosphate(2-)

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


sedoheptulose 7-phosphate(2-)

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


The anion of cefmenoxime.


heme d trans-diol(2-)

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


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


glutathione S-sulfinate(2-)

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


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


all-trans-heptaprenyl diphosphate(3-)

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


uroporphyrin I(8-)

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


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


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


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


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

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


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


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


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

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


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


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


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


D-hexose phosphate(2-)

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


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


cardiolipin 68:4(2-)

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


Major species at pH 7.3


octadecanoid anion

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


straight-chain fatty acid anion

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


(R)-dihydrolipoate

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


Major microspecies at pH 7.3


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


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


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


phosphatidylinositol 30:0(1-)

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


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


2-naphthyl sulfate(1-)

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


phosphatidylserine 28:0(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 28 carbons in total and 0 double bonds.


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


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


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


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


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

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


1-dodecylglycerone 3-phosphate(2-)

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


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


phosphoethanolamine

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


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


Major species at pH 7.3.


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


colistimethate A(5-)

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


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


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

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


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


cytidine 5'-diphosphoramidate(2-)

Major microspecies at pH 7.3


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


Conjugate base of 4'''-demalonylsalvianin.


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


dihydroxybenzoate

A hydroxybenzoate that is the  conjugate base of dihydroxybenzoic acid.


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


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


callysponginol sulfate A(1-)

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


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


streptothricin F acid (pH 7.3)

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


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


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


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


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


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


phosphatidylinositol 48:0(1-)

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


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


cetoleate

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


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


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


(S)-2-halocarboxylic acid anion

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


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


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


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


ketomycolate type-1 (X')

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


The anion formed by deprotonating bromfenac at the carboxyl proton.


(S)-lactate

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


dihydromonacolin L carboxylate

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


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


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


Major species at pH 7.3


hexacosadienoate

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


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

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


Major species at pH 7.3.


rubrofusarin B(1-)

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


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


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


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


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

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


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


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


N-acetyl-L-alaninate

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


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


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


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


valerate

A short-chain fatty acid anion that is the conjugate base of valeric acid; present in ester form as component of many steroid-based pharmaceuticals.


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


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


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


ketomycolate type-1 (XI)

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


15-oxoprostaglandin F2alpha(1-)

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


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


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


(E,E)-piperate

Major species at pH 7.3


a lipid IVB(4-)

Major species at pH 7.3


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


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


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


8-oxoresolvin D1(1-)

A polyunsaturated fatty acid anion that is the conjugate base of 8-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


a lipid IIA(2-)

Major species at pH 7.3


An oxo monocarboxylic acid anion that is the conjugate base of 8-[(1S,2S)-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.


dimethyldithiocarbamate

A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3.


Decaanion of 1D-myo-inositol 1,2,3,5,6-pentakisphosphate arising from global deprotonation of the phosphate functions.


1-acyl-2-arachidonoyl-sn-glycero-3-phospho-D-myo-inositol(1-) in which the 1-acyl group is specified as (10Z)-heptadecenoyl.


prostaglandin G3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin G3, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A anionic ceramide phosphoinositol compound having a hexacosanoyl 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


branched-chain amino-acid anion

A branched-chain amino acid whose alpha-carboxylic acid group is ionized.


torvanol A(1-)

An  organosulfonate oxoanion that is the conjugate base of torvanol A hydrogen sulfate.


The trans-isomer of 4-coumarate.


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


A dicarboxylic acid dianion obtained by deprotonation of the two carboxy groups of (5Z,8Z,11Z,14Z)-icosatetraenedioic acid; major species at pH 7.3.


An N-acyl-D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the amido group of any N-acyl-D-glutamic acid.


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


Major species at pH 7.3.


A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 2-hydroxyglutaric acid.


A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of baicalein. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of alpha-D-ribose 1-methylphosphonate 5-phosphate; major species at pH 7.3.


pentadecanoate

A straight-chain, saturated fatty acid anion resulting from the deprotonation of the carboxy group of pentadecanoic acid. It is the major species at pH 7.3.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the 1- and 2-acyl substituent are specified as oleoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively; major species at pH 7.3.


Major species at pH 7.3


tetramyristoyl cardiolipin(2-)

A cardiolipin(2-) that is the conjugate base of tetramyristoyl cardiolipin obtained by deprotonation of the phosphate OH groups; major species at pH 7.3.


omega-7 unsaturated fatty acyl-CoA(4-)

An unsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any omega-7 unsaturated fatty acyl-CoA; major species at pH 7.3.


dihydrolipoate

The conjugate base of dihydrolipoic acid.


An organosulfate oxoanion that is the conjugate base of avibactam, obtained by deprotonation of the sulfo group.


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


gibberellin A3 O-beta-D-glucoside(1-)

Conjugate base of gibberellin A3 O-beta-D-glucoside arising from deprotonation of the carboxylic acid group


chlorophyllide a(2-)

A cyclic tetrapyrrole anion arising from deprotonation of the carboxy group and the C-21 posiiton of chlorophyllide a. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-acetyl-L-citrullinate

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


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

An organophosphate oxoanion resulting from the removal of two protons from the phosphate group of 5-deoxy-alpha-D-ribose 1-phosphate.


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


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


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


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of any 1-alkyl-2-acyl-glycero-3-phosphate. Major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol(1-) in which the phosphatidyl acyl group at position 2 is specified as arachidonoyl while that at position 2 remains unspecified.


An 2,3-trans-enoyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (2E,5Z)-tetradecadienoyl-CoA; major species at pH 7.3.


A dicarboxylic acid dianion resulting from removal of a proton from both carboxy groups of N-acetyl-LL-2,6-diaminopimelic acid.


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


cytidine 2'-phosphate(2-)

A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of cytidine 2'-phosphate. Major structure at pH 7.3 (according to Marvin v 6.2.0.).


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


A HETE anion that is the conjugate base of 16-HETE, arising from deprotonation of the carboxy group; major species at pH 7.3.


steroid acid anion

Any anion formed by loss of a proton from a steroid acid.


A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 3-methylbenzylsuccinic acid; Major species at pH 7.3.


N-succinyl-L-alpha-amino acid(2-)

A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-succinyl-L-alpha-amino acid. Major species at pH 7.3.


A trans,trans-2,3,4,5-tetradehydroacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of trans,trans-2,4-hexadienoyl-CoA; major species at pH 7.3.


The organophosphate oxoanion that is the monoanion formed from biotinyl-5'-AMP by loss of a proton from the phospho group; major microspecies at pH 7.3.


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


A hydroxy monocarboxylic acid anion that is the conjugate base of 1,4-dihydroxy-2-naphthoic acid.


Dianion of cyclic di-3',5'-guanylic acid.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of ascr#22-CoA; major species at pH 7.3.


Major species at pH 7.3.


A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as (R)-2-hydroxybehenoyl.


The conjugate base of L-5-carboxymethylhydantoin; major species at pH 7.3.


phosphatidylinositol 42:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 42 carbons in total and 0 double bonds.


Any Delta(12)-acyl-CoA in which the mono- and di-phosphate groups are fully deprotonated.


tetratriacontatetraenoate

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


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


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


A ribonucleoside triphosphate oxoanion that is the heptaanion of guanosine 3'-diphosphate 5'-triphosphate.


hexuronate

A uronate obtained via deprotonation of the carboxy group of any hexuronic acid.


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


An S-substituted glutathione(1-) obtained by deprotonation of the the two carboxy groups and protonation of the glutamyl amino group of (E)-1-(glutathion-S-yl)-2-(indol-3-yl)acetohydroximate. Major microspecies at pH 7.3.


D-erythrulose 1-phosphate(2-)

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


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA.


An acyl-CoA(4-) resulting from the removal of all four protons from the phosphate and diphosphate groups of (2R)-ibuprofenoyl-CoA; major species at pH 7.3.


L-trihomomethionine zwitterion

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


ethylmalonate

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


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-CoA.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#14-CoA; major species at pH 7.3.


phosphatidylinositol 34:1(1-)

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


Se-methyl-L-selenocysteinate

An L-alpha-amino acid anion having methylselanylmethyl as the side-chain.


Trianion of UDP-N-acetylmuramoyl-L-alanine arising from deprotonation of diphosphate and alanine carboxy groups; major species at pH 7.3.


A UDP-N-acetylmuramoyl-L-alanyl-D-glutamate(4-) in which the muramoyl fragment has alpha-configuration at its anomeric centre; major species at pH 7.3.


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

An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any 2,3,4-saturated fatty acyl CoA.


chlorobenzoate

Any member of the class of benzoates in which the benzene ring is substituted by at least one chloro group.


A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oyl-CoA; major species at pH 7.3.


An epoxy(hydroxy)icosatrienoate that is the conjugate base of (8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid, obtained by deprotonation of the carboxy group.


An N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as capryloyl (octanoyl) 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.


A phenolate anion resulting from removal of the proton from the phenolic hydroxy group of (3,5-dichloro-2,4,6-trihydroxyphenyl)hexan-1-one that is para to the hexanoyl group. The major structure at pH 7.3.


Major microspecies at pH 7.3


A steroid acid anion that is the conjugate base of 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid, obtained by deprotonation of the carboxy group; 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,17Z,20Z,23Z,26Z)-3-hydroxydotriacontatetraenoyl-CoA; major species at pH 7.3.


A steroid sulfate oxoanion obtained by deprotonation of at least one of the sulfo groups of 5alpha-pregnan-3beta,20alpha-diol disulfate


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


A pentenedioate that is the dianion obtained by the deprotonation of both the carboxy groups of glutaconic acid.


The conjugate base of 2,8-dihydroxy-1,4-naphthoquinone arising from selective deprotonation of the 2-hydroxy group; major species at pH 7.3.


An aminobenzoate that is the conjugate base of 4-aminosalicylic acid, obtained by deprotonation of the carboxy group. Major miscrospecies at pH 7.3.


An organophosphate oxoanion that is the conjugate base of CDP-N,N-dimethylethanolamine, obtained by deprotonation of the diphosphate OH groups and protonation of the tertiary amino group; major species at pH 7.3.


A carbohydrate acid derivative anion that is HP_dp02_0008 [alpha-Delta4,5-UA(2S)-(1->4)-alpha-D-GlcpNS] in which the carboxy, sulfamic acid, and sulfooxy groups have undergone deprotonation.


phosphatidylserine 42:0(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 42 carbons in total and 0 double bonds.


The dianion resulting from the removal of both protons from the arsenate group of arseno-mycothiol.


(-)-bornyl diphosphate(3-)

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


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


beta-casomorphin-7 (human)(1-)

A peptide anion obtained from the deprotonation of the two carboxy groups, and protonation of the primary amino group of human beta-casomorphin-7. It is the major species at pH 7.3.


An organosulfate oxoanion that is the conjugate base of durlobactam, obtained by deprotonation of the sulfo group; Major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of N-(indol-3-ylacetyl)glutamine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 17-hydroxy-3-oxopregn-4-en-20-carboxy-CoA; major species at pH 7.3.


A steroid acid anion that is the conjugate base of 3-dehydro-4-carboxyzymosterol, obtained by deprotonation of the carboxy group; major species at pH 7.3.


omega-methyl fatty acid anion

A fatty acid anion obtained by deprotonation of the carboxy group of any omega-methyl fatty acid; 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 hexadecanoyl (palmitoyl) and 9Z-octadecenoyl (oleoyl) respectively; major species at pH 7.3.


Major species at pH 7.3


N-dodecanoylsphingosine 1-phosphate(2-)

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


ketogluconate

A gluconate that contains a ketonic carbonyl group.


A member of the class of benzoates that results from the removal of a proton from the carboxylic acid group of 3-O-methylgallic acid.


An inositol phosphate oxoanion obtained by global deprotonation of the phosphate and diphosphate OH groups of 1,5-bis(diphospho)-1D-myo-inositol 2,3,4,6-tetrakisphosphate.


An (omega-1)-hydroxy fatty acid anion resulting from the deprotonation of the carboxy group of 20-hydroxyhenicosanoic acid. The major species at pH 7.3.


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (-)-threo-isodihomocitric acid; major species at pH 7.3.


kynurenate

A quinolinemonocarboxylate that is the conjugate base of kynurenic acid


norsolorinate anthrone(2-)

An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of norsolorinic acid anthrone.


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


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


glycerol 1,2-cyclic phosphate(1-)

Conjugate base of glycerol 1,2-cyclic phosphate; major species at pH 7.3.


A long-chain unsaturated fatty acid anion that is the conjugate base of (9Z,13S)-12,13-epoxyoctadeca-9,11-dienoic acid arising from deprotonation of the carboxylic acid function.


propynoate

An acetylenic fatty acid anion and the conjugate base of propynoic acid, arising from deprotonation of the carboxylic acid group.


Octaanionic form of precorrin-4 arising from global deprotonation of the carboxy groups; major species at pH 7.3.


cardiolipin 80:17(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 80 carbons and 17 double bonds.


A steroid acid anion that is the conjugate base of (25R)-Delta(4)-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylglycerol phosphate(3-)

The glycerophosphoglycerophosphate anion of charge -3 formed by loss of a 3 protons from the OH groups of the phosphate functions.


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


A doubly-charged nucleotide-sugar oxoanion obtained via deprotonation of the diphosphate OH groups of UDP-N-acetyl-L-fucosamine; major species at pH 7.3.


An omega-carboxyacyl-CoA(5-) obtained by deprotonation of the phosphate, diphosphate and carboxy groups of any 3-carboxy-3-hydroxypropanoyl-CoA; major species at pH 7.3.


heparosan-N-sulfate D-glucuronate

A carbohydrate acid derivative anion obtained via global deprotonation of the carboxy and sulfo groups of heparosan-N-sulfate D-glucuronic acid; major species at pH 7.3.


ethyl eosin anion

The anionic form of ethyl eosin.


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

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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 2-oxo-dADP.


N-decanoylglycinate

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


(R)-rosmarinate

A stereoisomer of rosmarinate having (R)-configuration.


A galactosylceramide sulfate(1-) in which the ceramide N-acyl group is specified as stearoyl.


A monounsaturated fatty acid anion that is the conjugate base of 12,13-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of icas#12 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


pyrocatechol sulfate(1-)

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


D-mannosyl-D-glycerate

The carbohydrate acid anion formed from a D-mannosyl-D-glyceric acid by deprotonation of the carboxylic acid moiety.


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

The conjugate base of 3',5'-cyclic CMP; major species at pH 7.3.


Watasenia luciferin(2-)

A doubly-charged organosulfate oxoanion arising from deprotonation of both sulfo groups of Watasenia luciferin; major species at pH 7.3.


An organophosphate oxoanion that is the dianion of 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; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (5Z,11Z,14Z,17Z)-icosatetraenoyl-CoA; major species at pH 7.3.


2-C-methyl-D-erythritol 4-phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-C-methyl-D-erythritol 4-phosphate; major species at pH 7.3.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3,22-dioxochol-4-ene-24-oyl-CoA; major species at pH 7.3.


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


m-hydroxyhippurate

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


A cardiolipin 70:6(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-palmitoyl cardiolipin; major species at pH 7.3.


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


polysaccharide acid oxoanion

A carbohydrate acid derivative anion arising from deprotonation of one or more oxoacid OH groups of any polysaccharide acid.


phosphatidylserine 46:2(1-)

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


lyxonate

A pentonate resulting from the deprotonation of the carboxy group of a lyxonic acid.


name: (Kdo)2-lipid A 1-diphosphate(7-) (E. coli)

description: A carbohydrate acid derivative anion obtained by deprotonation of the carboxy, phosphate and diphosphate functions of (Kdo)2-lipid A 1-diphosphate; major species at pH 7.3.


The dihydroxybenzoate anion formed by loss of a proton from the carboxy group of 3,4-dihydroxy-5-polyprenylbenzoic acid.  The major species present at pH 7.3, it is an intermediate in the formation of ubiquinone.


Tetraanion of cyclohex-2,5-dienecarboxyl-CoA arising from deprotonation of phosphate and diphosphate functions; major mirospecies at pH 7.3.


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


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


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


4-phospho-(KDO)-lipid IVA(7-)

The lipid IVA oxoanion that is (KDO)-lipid IVA(5-) phosphorylated at the 4 position on the KDO moiety; protonated to pH 7.3.


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


name: a macrocyclic archaeaol phospholipid(1-)


peregrinol diphosphate(3-)

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


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


An unsaturated fatty acid anion that is the conjugate base of (8E,10S)-10-hydroperoxy-8-octadecenoic acid, obtained by deprotonation of the carboxy group.


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


cardiolipin 72:7(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 7 double bonds.


A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl component is specified as octaprenyl.


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


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


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


Sirius red 4B(2-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of Sirius red 4B (acid form).


A hydroxamic acid anion resulting from the removal of a proton from each of the three hydroxamic acid groups of desferricoprogen.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (3E,5Z)-tetradecadienoyl-CoA.


D-glucosaminic acid 6-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups and protonation of the amino group from D-glucosaminate 6-phosphate.


1-arachidonoylglycerone 3-phosphate(2-)

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


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


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


N,N-dihydroxyhexahomomethioninate

Conjugate base of N,N-dihydroxyhexahomomethionine.


long-chain 3-oxo-fatty acyl-CoA(4-)

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


phosphatidylinositol O-38:4(1-)

An alkyl,acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 38 carbons and 4 double bonds.


cyclic dehypoxanthinylfutalosinate(1-)

A benzoate anion that is the conjugate base of cyclic dehypoxanthinylfutalosine, arising from deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 13-(beta-D-glucosyloxy)docosanoic acid, arising from deprotonation of the carboxy group.


N-oleoyl-L-serinate

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


omega-hydroxyphytanate

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


Tetraanion of UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioic acid.


A doubly-charged organophosphate oxoanion resulting from the removal of two protons from the diphosphate group of alpha-D-rhamnosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3.


rifampicin hemiaminal(2-)

Major species at pH 7.3.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3,8-dioxooct-5-enoyl-CoA; major species at pH 7.3.


An enolate resulting from the deprotonation of the hydroxy group of the enol moiety of TAN-1612.


A dicarboxylic acid monoanion that is the conjugate base of 2-amino-3-(3-oxoprop-1-enyl)but-2-enedioic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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


chlorophyllide b(2-)

A cyclic tetrapyrrole anion that is derived from chlorophyllide b 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.).


murideoxycholate

A  bile acid anion that is the conjugate base of murideoxycholic acid.


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA.


geranyl diphosphate(3-)

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


glycerophosphoglycerophosphate anion

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


Major species at pH 7.3


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

Dianion of beta-D-fructofuranose 2-phosphate.


An organic anion obtained by deprotonation of the carboxy, sulfo and one of the hydroxy groups as well as protonation of the amino group of A47934; major species at pH 7.3.


erinacine Q

Major species at pH 7.3


tuberculosinyl diphosphate(3-)

A organophosphate oxoanion arising from deprotonation of the three diphosphate OH groups of tuberculosinyl diphosphate.


N-acetyltryptophanate

A monocarboxylic acid anion which is obtained by deprotonation of the carboxy group of N-acetyltryptophan.


An ionic phospholipid obtained by deprotonation of the phosphate OH groups of 1-archaetidyl-1D-myo-inositol 3-phosphate.


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


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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of alpha-D-mannosyl-(1->3)-N-acetyl-alpha-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol. 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,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontapentaenoyl-CoA; major species at pH 7.3.


Pentaanion of (E)-2-benzylidenesuccinyl-CoA.


A keto-D-gluconate that is the conjugate base of 3-dehydro-D-gluconic acid, obtained by deprotonation of the carboxy group.


Pentaanion of trans-4-carboxybut-2-enoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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


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


hippurates

An N-acylglycinate obtained by deprotonation of the carboxy group of hippuric acid (N-benzoylglycine) and its derivatives.


phosphatidylserine O-32:2(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 2 double bonds.


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


A benzoate anion resulting from the removal of protons from the phenolic hydroxy group and the carboxy group of 2',4',5',7'-tetrabromo-2,3,4,5-tetrachlorofluorescein.


resolvin T2(1-)

A docosanoid anion that is the conjugate base of resolvin T2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A long-chain fatty acyl-CoA(4-) in which the S-acyl moiety contains 18 carbons and 1 double bond. Major species at pH 7.3.


Major species at pH 7.3


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


Conjugate base of 3-hydroxy-2-methylquinolin-4(1H)-one.


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


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-beta-L-rhodosamine, arising from deprotonation of the diphosphate group and protonation of the amino group; major species at pH 7.3.


2,3,4-saturated fatty acid(1-)

A fatty acid anion obtained by deprotonation of the carbox group of any 2,3,4-saturated fatty acid.


saturated fatty acyl-AMP(1-)

An fatty acyl-AMP(1-) that results from deprotonation of the phosphate OH group of any saturated fatty acyl-AMP; majoe r species at pH 7.3.


The 5-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxylic acid group of 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid.


A docosanoid anion obtained by deprotonation of the two carboxy groups and protonation of the alpha-amino group of (8S)-glycinylcystein-S-yl-(7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid; major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 7-methyl-3-oxooct-6-enoyl-CoA; major species at pH 7.3.


A benzoate in which an unspecified halogen atom is bonded to the carbon atom adjacent to the carboxylate group.


A steroid acid anion that is the conjugate base of (25R)-3beta,4beta-dihydroxycholest-5-en-26-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 15(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


A phenolate anion that is the conjugate base of xanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-acetyl-L-tyrosinate

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


The conjugate base of 5-oxoproline.


An organic anion that is the conjugate base of roseoflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


sucrose 6(F)-phosphate(2-)

Dianion of sucrose 6(F)-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#18, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of diphosphate and carboxy groups of UDP-N-acetyl-3-O-(1-carboxyvinyl)-D-glucosamine; major species at pH 7.3.


A retinoid anion that is the conjugate base of all-trans-4,16-dihydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


andrastin F(1-)

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


L-homocysteinate

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


The conjugate base of 4-carboxymethyl-4-methylbut-2-en-1,4-olide; major species at pH 7.3.


A tricarboxylic acid trianion resulting from the deprotonation of all three hydroxy groups of N-acetyl-S-(2-succino)-L-cysteine. The major species at pH 7.3.


The conjugate base of 2-(hydroxymethyl)-4-oxobutanoic acid; major species at pH 7.3.


Trianion of 2-carboxy-4-methyl-5-[(2-phosphonooxy)ethylidene]-2,5-dihydrothiazole arising from deprotonation of carboxylic acid and phosphate functions.


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


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


Tetraanion of 4-CDP-2-C-methyl-D-erythritol 2-phosphate arising from deprotonation of phosphate and diphosphate groups; major species at pH 7.3.


An octadecadienoyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of (6Z,11E)-octadecadienoyl-CoA; major species at pH 7.3.


A doubly-charged S-alkyl thiosulfate anion obtained by deprotonation of both thiosulfate OH grous of thiosultap.


urate anion

An organic anion obtained by removal of at least one proton from any uric acid.


A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of 2'-deoxycytidine 5'-diphosphate (dCDP).


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

Tetraanion of D-ribulose 1,5-bisphosphate arising from deprotonation of all four phosphate OH groups; major species at pH 7.3.


A 6-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (2Z,4E)-2-hydroxy-5-methyl-6-oxohexa-2,4-dienoic acid. The major species at pH 7.3.


A dicarboxylic acid dianion resuting from removal of a proton from both carboxy groups of 4-fumarylacetoacetic acid.


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


aspirin-triggered protectin D1(1-)

A dihydroxydocosahexaenoate that is the conjugate base of aspirin-triggered protectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of 2,4-dichloro-5-oxo-2,5-dihydro-2-furylacetic acid; major species at pH 7.3.


19-hydroxythromboxane A2(1-)

A thromboxane anion that is the conjugate base of 19-hydroxythromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of both phosphate OH groups of salicin-6-phosphate; major species at pH 7.3.


myo-inositol hexakisphosphate(12-)

The organophosphate oxoanion formed by loss of 2 protons from each of the phosphate groups of 1D-myo-inositol.


lysinate

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


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


An organophosphate oxoanion that is a trianion arising from deprotonation of phosphate and carboxylic acid functions of 6-phospho-D-gluconic acid.


An organophosphonate oxoanion obtained by deprotonation of the phosphonate OH groups of (1S,2S)-1,2-dihydroxypropylphosphonic acid.


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


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


A peptide anion that is the conjugate base of L-alanyl-gamma-D-glutamyl-meso-diaminopimelic acid, arising from deprotonation of the the three carboxy groups and protonation of both amino groups; major species at pH 7.3.


Conjugate base of 3,3',4',5,7-pentahydroxy-8-methoxyflavone


An Ins-1-P-6-Man-1-6-Ins-1-P-Cer C(2-) in which the acyl group and the ceramide base contain a total of 46 carbons and 0 double bonds, with the acyl group hydroxylated at position 2 and the ceramide base hydroxylated at position 4.


cyclohexanecarboxylate

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


22-hydroxyprotectin D1(1-)

A docosanoid anion that is the conjugate base of 22-hydroxyprotectin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


D-tagatofuranose 1,6-bisphosphate(4-)

A organophosphate oxoanion that is the tetraanion of D-tagatofuranose 1,6-bisphosphate.


Major microspecies at pH 7.3.


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


A precorrin carboxylic acid anion that is the heptaanionic form of precorrin-6A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#32, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An omega-hydroxy-lon-chain fatty acid anion that is the conjugate base of 15-hydroxypentadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


coenzyme M(1-)

An organosulfonate oxoanion that is the conjugate base of coenzyme M; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the free diphosphate OH groups of dTDP-6-deoxy-alpha-D-allose.


17beta-estradiol 17-glucosiduronate

A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 17beta-estradiol 17-glucosiduronic acid.


triacontanoate

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


A polyanionic polymer obtained by deprotonation of the carboxy groups of alpha-D-galacturonosyl-[(1->2)-alpha-L-rhamnosyl-(1->4)-alpha-D-galacturonosyl]n; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any alkyl,acylglycerophosphoinositol. Major species at pH 7.3.


Ins-1-P-Cer B/B'(1-)

An inositol phosphoceramide(1-) in which either the acyl group is hydroxylated at position 2 or the ceramide base is hydroxylated at position 4. Major species at pH 7.3.


N-hydroxy-L-trihomomethioninate

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


ternatin C5(2-)

Dianion of ternatin C5 arising from deprotonation of the malonyl carboxy and 5-and 7- hydroxy groups.


An organophosphate oxoanion obtained by deprotonation of the phosphate and diphosphate functions of 4-O-[di(2R)-1-glycerylphosphonato]-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl undecaprenyl diphosphate; major species at pH 7.3.


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


A linear tetrapyrrole anion obtained by deprotonation of both the carboxy groups of 15-oxo-beta-bilirubin.


N-oleoyl-L-leucinate

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


An organophosphonate oxoanion resulting from the removal of a proton from the phosphonic acid group of 1-aminocyclopropylphosphonic acid.


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


A charged organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of N2,N2,N7-trimethylguanosine 5'-diphosphate; major species at pH 7.3.


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


N-acetyl-L-2-aminoadipate semialdehyde

An N-acyl-L-alpha-amino acid anion resulting from deprotonation of the carboxy group of N-acetyl-L-2-aminoadipic semialdehyde; major species at pH 7.3.


Octaanion of 1D-myo-inositol 1,4,5,6-tetrakisphosphate arising from global deprotonation of the phosphate OH groups.


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


An organophosphate oxoanion that is the conjugate base of 2-O-(alpha-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol, obtained by deprotonation of the phosphate 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 trans-2-triacontenoyl-CoA; major species at pH 7.3.


Conjugate base of 3''-deamino-3''-oxonicotianamine.


digalacturonate

A carbohydrate acid anion resulting from the deprotonation of the carboxy groups of any digalacturonic acid.


A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 10-hydroperoxy-8E-octadecenoic acid. The major species at pH 7.3.


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


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


Tricarboxylate anion of 4-carboxy-2-hydroxyhexa-2,4-dienedioic acid; major species at pH 7.3.


A dTDP-4-acetamido-4,6-dideoxy-D-glucose(2-) in which the anomeric centre of the pyranose fragment has alpha-configuration.


A 4-hydroxy-3-polyprenylbenzoate in which the polyprenyl chain contains 8 prenyl units; 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)-icosatetraenoyl-CoA; major species at pH 7.3.


L-pipecolate

A pipecolate that is the conjugate acid of L--pipecolic acid.


19-hydroxyprostaglandin I2(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin I2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


3-dehydro-L-gulonate 6-phosphate

An organophosphate oxoanion that is a trianion arising from deprotonation of the phosphate and carboxylic acid functions of 3-dehydro-L-gulonic acid 6-phosphate.


protochlorophyllide b(1-)

Major species at pH 7.3


Conjugate base of (2S)-2-hydroxyphytanic acid.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 3-fluorobenzoyl-AMP; major microspecies at pH 7.3.


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


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


name: lipid A 1,4'-bis(2-aminoethyl diphosphate)(3-)

description: A lipid A oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino groups of lipid A 1,4'-bis(2-aminoethyl diphosphate); major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GT2; major species at pH 7.3.


The dianion obtained by removal of two protons from the phosphonic acid group of cidofovir.


Major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-alpha-D-forosamine; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any 2,3-diacyl-alpha-D-glucosaminyl 1-phosphate. Major microspecies at pH 7.3


all-trans-tridecaprenyl diphosphate(3-)

An all-trans-polyprenyl diphosphate(3-) arising from deprotonation of the diphosphate OH groups of all-trans-tridecaprenyl diphosphate; major species at pH 7.3.


The conjugate base of (5Z,7E,9E,14Z,17Z)-icosapentaenoic acid; major species at pH 7.3.


icosadienoate

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


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3,4-dihydro-4-hydroxyphenylpyruvic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An alkyl,acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which unspecified acyl and alkyl groups are located at positions 1 and 2 respectively.


A phenolate anion that is the conjugate base of 4-hydroxy-3-nitrophenylacetaldehyde; major species at pH 7.3


A 1-(1Z-alkenyl)-2-acyl-sn-glycero-3-phospho-L-serine(1-) in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group of 5-hydroxy-3,3',4',7-tetramethoxyflavone. The major species at pH 7.3.


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


n-octyl sulfate

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


A retinoid anion that is the conjugate base of all-trans-16-hydroxyretinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


mono(2-ethylhexyl) phthalate(1-)

Conjugate base of mono(2-ethylhexyl) phthalate arising from deprotonation of the free carboxy group; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GT1a; major species at pH 7.3.


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


glycolithocholate

A N-acylglycinate that is the conjugate base of glycolithocholic acid; major species at pH 7.3.


cardiolipin 80:12(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 80 carbons and 12 double bonds.


The compound is attached to peptidoglycan, but I don't know to indicate that in the name


(R)-pantothenate

A pantothenate that is the conjugate base of (R)-pantothenic acid, obtained by deprotonation of the carboxy group.


5-hydroperoxy-15-HETE(1-) that has 5S,15S configuration. The conjugate base of (5S,15S)-5-hydroperoxy-15-HETE. The major species at pH 7.3.


heptosyl-(KDO)2-lipid A(6-)

A lipid A oxoanion obtained via deprotonation of the carboxy and phosphate OH groups of L-alpha-D-Hep-(1->5)-[alpha-Kdo-(2->4)]-alpha-Kdo-(2->6)-lipid A; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of 3-methylmalic acid; major microspecies at pH 7.3


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

Dianion of a 1-acyl-sn-glycerol 3-phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.


Dicarboxylate anion of phytochromobilin; major species at pH 7.3.


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


Trianion of (2-amino-4-hydroxy-7,8-dihydropteridin-6-yl)methyl diphosphate arising from deprotonation of the three diphosphate OH groups.


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxy groups of 3-oxo-5,6-dehydrosuberyl-CoA; major species at pH 7.3.


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


A monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-17-hydroxyoctadec-9-enoic acid 17-O-sophoroside. The major species at pH 7.3


kaempferol oxoanion

The 3-oxoanion of kaempferol.


A hydroxy monocarboxylic acid anion that is the conjugate base of cis-4-coumaric acid; major species at pH 7.3.


guaiacol sulfate(1-)

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


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


calcitroate

Conjugate base of calcitroic acid.


Tetraanion of 3-hydroxy-2-methylpropanoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


phosphatidylinositol 43:6(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 43 carbons and 6 double bonds.


Ins-1-P-Cer B/B' 36:0(1-)

An Ins-1-P-Cer B/B'(1-) in which the acyl group and the ceramide base contain a total of 36 carbons and 0 double bonds, and in which either the acyl group is hydroxylated at position 2 or the ceramide base is hydroxylated at position 4.


Dianion of 10-formyldihydrofolic acid arising from deprotonation of both carboxylic acid functions.


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


eurysterol B(1-)

An organosulfonate oxoanion obtained by the deprotonation of the sulfate group of eurysterol B hydrogen sulfate.


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


phosphatidylserine O-32:6(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 32 carbons and 6 double bonds.


Conjugate base of D-nopaline in which the three carboxy groups are anionic and the secondary amino and guanidino groups are cationic; major species at pH 7.3.


A steroid acid anion that is the conjugate base of 3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acid, obtained via deprotonation of the carboxy group; major species at pH 7.3.


estriol 16-O-(beta-D-glucuronide)(1-)

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


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


A phosphatidylglycerol(1-) that is the conjugate base of 1,2-dihexadecanoyl-sn-glycero-3-phosphoglycerol obtained by deprotonation of the phosphate hydroxy group; major species at pH 7.3.


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


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


A 2-hydroxycarboxylate that is obtained by removal of a proton from the carboxylic acid group of 4-hydroxymandelic acid.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxohexadecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.


Major species at pH 7.3


A hydroxydocosahexaenoate that is the conjugate base of (8E,10Z,13Z,16Z,19Z)-docosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


(2R)-2-hydroperoxy fatty acid anion

A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of any (2R)-hydroperoxy fatty acid.


fatty acid-taurine conjugate(1-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonate group of any fatty acid-taurine conjugate; major species at pH 7.3.


globostellatate A(1-)

A dioxo monocarboxylic acid anion obtained by the deprotonation of the carboxylic group of globostellatic acid A.


futalosinate

A 5-oxo monocarboxylic acid anion that is the conjugate base of futalosine.


Compound 6b in pmid:28240554


A tricarboxylic acid trianion obtained by deprotonation of the three carboxy groups of (R)-dihomocitric acid; major structure at pH 7.3.


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

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


6-hydroxyindole sulfate(1-)

An organosulfate oxoanion that is the conjugate base of 6-hydroxyindole sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


benzoates

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


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-2-acetamido-4-dehydro-2,6-dideoxy-beta-D-glucose; major species at pH 7.3.


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


Dianion of dTDP-4-dehydro-6-deoxy-L-mannose arising from deprotonation of both free OH groups of the diphosphate.


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


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


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


Major microspecies at pH 7.3.


validamine 7-phosphate(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of validamine 7-phosphate; major species at pH 7.3.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 2-tert-butyl-4-{3-[3-(3-carboxypropyl)-3-methyl-5-sulfo-1-(3-sulfopropyl)-1,3-dihydro-2H-indol-2-ylidene]prop-1-en-1-yl}-6,8,8-trimethyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium


vanilpyruvate

A 2-oxo monocarboxylic acid anion that is the conjugate base of vanilpyruvic acid, arising from deprotonation of the carboxy group; Major species at pH 7.3.


A nucleoside 5'-monophosphate(2-) obtained by deprotonation of the phospohate OH groups of any pyrimidine ribonucleoside 5'-monophosphate; major species at pH 7.3.


D-ribofuranose 5-phosphate(2-)

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


An organic anion that is a borate diester derived from a furanose and acts a universal signal molecule mediating intra- and interspecies communication among bacteria.


acetyl phosphate(1-)

An acyl monophosphate(1-) that is the conjugate base of acetyl dihydrogen phosphate.


porfimer anion

The anion resulting from the removal of a proton from evry carboxylic acid group of porfimer, a mixture of oligomers formed by ether and ester linkages of up to eight porphyrin units (n = 0-6), where R = CH(OH)Me and/or CH=CH2.


A dinucleotide comprising adenosine and guanosine connected by a 3'->5 linkage and with a phosphoric group at the 5'-terminus; major species at pH 7.3.


A member of the class of oxopentanoates that is the conjugate base of 4-oxopentanoic acid.


A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of (2E,6E)-farnesoic acid; major species at pH 7.3.


The conjugate base of (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid; major species at pH 7.3.


A citrate anion obtained by deprotonation of the three carboxy groups as well as the hydroxy group of citric acid.


name: medium-chain (3S)-hydroxy fatty acyl-CoA(4-)

description: A (3S)-3-hydroxyacyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups of any medium-chain (3S)-hydroxy fatty acyl-CoA; major species at pH 7.3.


icosenoate

A long-chain monounsaturated fatty acid anion that is the conjugate base of icosenoic acid, formed by deprotonation of the carboxylic acid group. Major species at pH 7.3.


phosphatidylinositol 31:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 31 carbons and 1 double bond.


A steroid sulfate oxoanion obtained by deprotonation of the sulfo group of any 4-androstene-3alpha,17alpha-diol monosulfate


leukotriene anion

A eicosanoid anion that is the conjugate base of a leukotriene.


An organophosphate oxoanion resulting from deprotonation of the phosphate and carboxy groups of N-(5-phospho-beta-D-ribosyl)anthranilic acid.


prostaglandin D2(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin D2., obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


omega-6 unsaturated fatty acyl-CoA(4-)

An unsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of any omega-6 unsaturated fatty acyl-CoA; major species at pH 7.3.


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


11-epi-prostaglandin F2alpha(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 11-epi-prostaglandin F2alpha, obtained by deprotonation of the carboxy group;  major species at pH 7.3.


7,4'-O-dimethylquercetin 3-olate

Major microspecies at pH 7.3.


N-formyl-L-methioninate

The conjugate base of N-formyl-L-methionine; major species at pH 7.3.


An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 5-acetamido-4-hydroxy-3-(phenyldiazenyl)naphthalene-2,7-disulfonic acid.


pyrroloquinoline quinol(4-)

A tricarboxylic acid anion obtained by deprotonation of the three carboxy groups as well as the 5-hydroxy group of pyrroloquinoline quinol; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


mono(glucosyluronic acid)bilirubin(2-)

A dicarboxylic acid dianion resulting from the deprotonation of both of the carboxy groups of mono(glucosyluronic acid)bilirubin; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#28-CoA; major species at pH 7.3.


chlorogenate

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


A UDP-N-acetylmuramoyl-L-alaninate(3-) in which the D-muramoyl fragment has alpha-configuration at its anomeric centre; major species at pH 7.3.


An carboxylic acid anion resulting from the deprotonation of both carboxy groups and the protonation of the primary amino group of glutathione. The major species at pH 7.3.


fumonisin B1(3-)

A tetracarboxylic acid anion resulting from the protonation of the amino group and the deprotonation of all four carboxy groups of fumonisin B1. This is the major species at pH 7.3.


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


myristoleate

A tetradecenoate that is the conjugate base of myristoleic acid.


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


A class of carboxylic acid anions of general formula RCHCH3C(=O)O(-) where R represents an aryl group.


An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.


carbohydrate acid derivative anion

A carboxylic acid anion resulting from the deprotonation of the carboxy group of a carbohydrate acid derivative.


An omega-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 15-hydroxypentadecanoyl-CoA; major species at pH 7.3.


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

An Ins-1-P-Cer A(1-) in which the acyl group and the ceramide base contain a total of 42 carbons and 0 double bonds. Major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of any [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate; major species at pH 7.3.


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


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


phosphatidylserine 44:1(1-)

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


2-hydroxy fatty acid anion 16:0

A hydroxy fatty acid anion 16:0 in which the hydroxy substituent is located at position 2.


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