L-ornithinate

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


tetracosapentaenoate

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


A medium chain fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxy-3-methyldodecanoyl-CoA; major species at pH 7.3.


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 7-O-methylvitexin 2''-O-beta-L-rhamnoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A linear tetrapyrrole anion obtained by deprotonation of both the carboxy groups of 5-oxo-delta-bilirubin (more correctly known as 10-oxo-delta-bilirubin; see comment).


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA; major species at pH 7.3.


A hydroperoxy fatty acid anion that is the conjugate base of 11(R)-HPETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Dianion of N(omega)-phosphohypotaurocyamine.


A monocarboxylic acid anion that is the conjugate base of 4-methoxy-4-oxo-3-phenylbutanoic acid, obtained by deprotonation of the carboxy group.


An oxo fatty acid anion that is the conjugate base of 12-oxo-(5Z,8E,10E)-heptadecatrienoic acid; major species at pH 7.3


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#35-CoA; major species at pH 7.3.


Carboxylate anion of demethylsulochrin.


A mannosylinositol-1-phosphoceramide having phytoceramide of unknown length.


A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoserine(1-) in which the 2-acyl substituent is specified as oleoyl.


A polyunsaturated hydroxy-fatty acid anion that is the conjugate base of 14-oxo-DoHE, arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


nocamycin I(1-)

An organic anion resulting from the deprotonation of the enol moiety of nocamycin I. The major species at pH 7.3.


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


thiamine(1+) monophosphate(2-)

An organophosphate oxoanion that is the conjugate base of thiamine(1+) monophosphate(1-), arising from the deprotonation of the phosphate group. Major microspecies at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#24, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroid sulfate oxoanion obtained by deprotonation of at least one of the sulfo groups of 4-androstene-3beta,17beta-diol disulfate.


cardiolipin 54:2(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 54 carbons and 2 double bonds.


An anionic phospholipid obtained by deprotonation of the phosphate group of any N-acyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of any NDP-alpha-D-glucose; major species at pH 7.3.


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


glycodeoxycholate

A N-acylglycinate that is the  conjugate base of glycodeoxycholic acid.


dihydroxydocosahexaenoate

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


Dianion of S-succinylglutathione having anionic carboxy groups and a protonated primary amino group.


A mannosyl-alpha-1->6-inositol phosphorylceramide(1minus) having an acyl group attached to the ceramide nitrogen and a d20:0 sphingoid base; major species at pH 7.3.


1-methylthio-D-xylulose 5-phosphate(2-)

An organophosphate oxoanion that is the dianion of 1-methylthio-D-xylulose 5-phosphate arising from deprotonation of the phosphate OH groups; major microspecies at pH 7.3


An O-phosphonatooxyserine(2-) that is the dianion of O-phospho-D-serine.


phosphatidylserine 34:6(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 34 carbons in total and 6 double bonds.


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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [alpha-D-GalNAc-(1->4)]2-[beta-D-Glc-(1->3)]-[alpha-D-GalNAc-(1->4)]2-alpha-D-GalNAc-(1->3)-alpha-D-diNAcBac-tritrans,heptacis-undecaprenyl diphosphate; major species at pH 7.3.


avenalumate

Major microspecies at pH 7.3.


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


D-galactosamine 6-phosphate(1-)

An organophosphate oxoanion that is the conjugate base of D-galactosamine 6-phosphate, obtained by deprotonation of the phosphate OH groups and protonation of the 2-amino group. Major structure at pH 7.3.


Major species at pH 7.3


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


A doubly-charged nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of GDP-6-deoxy-alpha-D-mannose: major species at pH 7.3.


The anion resulting from the removal of a proton from the arsenate group of arseno-mycothiol.


suberate

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


A doubly-charged N-acyl-L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of N-formyl-L-aspartic acid.


Major species at pH 7.3.


Pentaanion of citramalyl-CoA arising from deprotonation of phosphate, diphosphate and carboxy functions.


A penicilloate anion that is the conjugate base of benzylpenicilloic acid arising from zwitterion formation and deprotonation of the remaining carboxy group.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontaheptaenoyl-CoA; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1c; major species at pH 7.3.


A carbohydrate acid derivative anion resulting from the deprotonation of the carboxy group of alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc. The major species at pH 7.3.


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

description: Any omega-hydroxy-fatty acid anion which has a chain length greater than C27.


cyclic tetraadenylate(4-)

Cyclic tetraadenylate; major species at pH 7.3.


cortisol phosphate(2-)

A steroid phosphate oxoanion which is the dianion obtained by deprotonation of the phosphate OH groups of cortisol phosphate.


A dicarboxylic acid monoanion resulting from the deprotonation of the two carboxy groups and protonation of the primary amino group of cefminox. Major microspecies at pH 7.3.


fatty acid anion 19:0

A fatty acid anion containing 19 carbons and 0 double bonds. Major species at pH 7.3.


An organophosphate oxoanion that is the tetraanion formed from 2'-(5"-phosphoribosyl)-3'-dephospho-CoA by global deprotonation of the phosphate and diphosphate groups. Major species at pH 7.3.


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


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


A C78 alpha-mycolate having a C54 meromycolic chain with two cis cyclopropyl functions and a saturated C24 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration.


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


An anionic phospholipid obtained by deprotonation of the carboxy and phosphate groups of 1,2-diacyl-sn-glycero-3-phospho-(N-acyl)-L-serine; major species at pH 7.3.


dermatan sulfate

Any of a group of glycosaminoglycans with repeating units consisting of variously sulfated beta1->4-linked L-iduronyl-(alpha1->3)-N-acetyl-D-galactosamine units.


The conjugate base of laricitrin arising from deprotonation of the 3-OH group; major species at pH 7.3.


name: primary fluorescent dioxobilin-type chlorophyll catabolite(1-)


The conjugate base of 3,5-dibromo-4-hydroxybenzonitrile; major species at pH 7.3.


Tricarboxylate anion of (1R,2S,5S,6S)-2-(3-carboxypropanoyl)-5-[(1-carboxyvinyl)oxy]-6-hydroxycyclohex-3-ene-1-carboxylic acid.


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


An organosulfonate oxoanion which is also a monocarboxylic acid anion obtained by deprotonation of the sulfo and carboxy groups of tartrazine acid.


hydroperoxyicosatrienoate

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


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of trans-2-tetracosenoyl-CoA.


phosphatidylinositol 38:4(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the acyl groups at C-1 and C-2 contain 38 carbons in total and 4 double bonds.


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


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


A dicarboxylic acid dianion that results from the deprotonation of both of the carboxylic acid groups of itaconic acid.


L-ascorbate 2-phosphate(3-)

An organophosphate oxoanion that is the trianion formed from L-ascorbic acid 2-phosphate by deprotonation of the 3-hydroxy group and of both hydroxy groups of the phosphate function; major species at pH 7.3.


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


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

An organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


lysophosphatidylserine 20:2(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 20 carbons and 2 double bonds.


Conjugate base of 2,3-dihydroxy-trans-cinnamic acid.


An oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of amfenac. The major species at pH 7.3.


A CDP-D-glucose(2-) having alpha-configuration at the anomeric centre. Major microspecies at pH 7.3.


Major species at pH 7.3


A monocarboxylic acid anion resulting from the deprotonation of the tetrazole NH group and carboxy group of candesartan. It is the major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (12Z,15Z,18Z,21Z,24Z)-triacontapentaenoyl-CoA; major species at pH 7.3.


A 2-hydroxy-6-oxonona-2,4-dienedioate having (2E,4Z)-configuration.


A chlorobenzoate that is the conjugate base of 4-chlorobenzoic acid.


N-hydroxy-L-valinate

A monocarboxylic acid anion, obtained by removal of a proton from the carboxylic acid group of N-hydroxy-L-valine.


An  indol-3-yl carboxylic acid anion that is the conjugate base of  indole-3-butyric acid, arising from the deprotonation of the carboxy group.


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

Any Delta(11)-fatty acyl-CoA(4-) in which the double bond at the 11-12 position of the fatty acyl group has E configuration.


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


A monocarboxylic acid anion resulting from deprotonation of the carboxy group of 2-carboxy-D-arabinitol; major species at pH 7.3.


N-icosanoylglycinate

A N-acylglycinate in which the acyl group is specified as icosanoyl; major species at pH 7.3.


N,N-dihydroxy-L-tyrosinate

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


N-hexanoylglycinate

A monocarboxylic acid anion that is the conjugate base of N-hexanoylglycine, obtained by deprotonation of the carboxy group; 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 a proximal cis-cyclopropyl group followed by a distal oxo group and a (CH-CH3) fragment of (S) stereochemistry in the meromycolic chain.


A carbohydrate acid anion arising from deprotonation of both carboxy groups of 4-(alpha-D-galactopyranuronosyl)-D-galactopyranuronic acid; major species at pH 7.3.


citrullinate

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


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


A steroid acid anion, that is the conjugate base of pyridinestrone-3-carboxylic acid. An abiotic metabolite in the 4,5-seco pathway of aerobic estrogen degradation by the bacterium Sphingomonas sp. strain KC8.


p-cresol sulfate(1-)

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


A trihydroxyicosatrienoate that is the conjugate base of 11,12,15-trihydroxy-(5Z,8Z,13E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A doubly-charged organophosphate oxoanion resulting from the removal of two protons from the diphosphate group of alpha-D-rhamnosyl-(1->3)-alpha-D-rhamnosyl-(1->2)-alpha-D-rhamnosyl-(1->4)-N-acetyl-D-glucosaminyl undecaprenyl diphosphate


Trianion of UDP-N-acetyl-2-amino-2-deoxy-D-glucuronic acid arising from deprotonation of carboxylic acid and phosphate functions.


GDP-alpha-D-mannuronate

A GDP-D-mannuronate in which the anomeric centre of the mannuronate fragment has alpha-configuration.


An unsaturated fatty acid anion that is the conjugate base of 5-hydroxy-6E,8Z,11Z,14Z-icosatetraenoic acid, obtained by deprotonation of the carboxy group.


conjugate base of (2S)-2-hydroxy-2-methyl-3-oxobutanoic acid.


juvenile hormone III carboxylate

A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of juvenile hormone III acid; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of 15-methylhexadecasphinganine 1-phosphate, having an anionic phosphate group and a protonated amino 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,13Z,16Z,19Z,22Z,25Z)-3-hydroxyoctacosapentaenoyl-CoA; major species at pH 7.3.


A multi-methyl-branched fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyphytanoyl-CoA .


A member of the class of pteroates that is the conjugate base of 2-hydroxy-7,8-dihydropteroic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3.


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


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


A cephalosporin carboxylic acid anion having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups, formed by proton loss from the carboxy group of the cephalosporin cefotaxime.


A peptide anion obtained by removal of three protons from the fifteen-membered polypeptide Asp-Ser-Gly-Glu-Gly-Asp-Phe-Leu-Ala-Glu-Gly-Gly-Gly-Val-Arg. It is the major microspecies at pH 7.3.


A carbohydrate acid derivative anion that is the conjugate base of 2-O-[6-O-octanoyl-alpha-D-glucosyl-(1->6)-alpha-D-glucosyl]-D-glyceric acid arising from deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of (S)-alpha-hydroxyglutaric acid-gamma-lactone, obatined by deprotonation of the carboxy group.


The conjugate base of 3,5-dimethoxybenzoic acid.


prostaglandin J3(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.


A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group.


dihydrofolates

A folate obtained by deprotonation of any dihydrofolic acid.


Conjugate base of N-formimidoyl-L-glutamic acid having both carboxy groups in anionic form and the imine nitrogen protonated.


A 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 3-(4-aminophenyl)pyruvic acid. Major species at pH 7.3.


luteolin 7-O-beta-D-glucosiduronate

A carbohydrate acid derivative anion that is the conjugate base of luteolin 7-O-beta-D-glucosiduronic acid, arising from 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 (9Z)-heptadecenoyl-CoA.


The organophosphate oxoanion that at pH 7.3 is the major microspecies present of undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)5-L-lysyl-D-alanyl-D-alanine, formed by loss of two protons from the diphospho group.


A dicarboxylic acid dianion comprising cis,cis-muconate substituted at C-2 by a hydroxy group.


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


A monocarboxylic acid anion that is the conjugate base of 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A quinolinate(1-) that is the tautomer of 2-carboxypyridine-3-carboxylate.


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


A glycerol 1-phosphoserine(1-) in which the glycero portion has R-configuration and the serine moiety has L-configuration.


name: L-aspartyl 9-O-10-oxo-(12Z)-octadecenoate ester residue

description: An oxo carboxylic acid anion that is the conjugate base of L-aspartyl 9-O-10-oxo-(12Z)-octadecenoic acid group.


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


phosphatidylserine 38:5(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 38 carbons in total and 5 double bonds.


A nucleotide-sugar oxoanion obtained via deprotonation of the diphosphate and carboxy OH groups of UDP-2-acetamido-2-deoxy-alpha-D-ribo-hex-3-uluronic acid; major species at pH 7.3.


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


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


hydroxy fatty acid anion 28:0

Any hydroxy saturated fatty acid anion containing 28 carbons.


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


phosphatidylserine 37:4(1-)

A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 37 carbons with 4 double bonds.


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


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


dimethylallyl diphosphate

Trianion of prenyl diphosphate arising from deprotonation of the three diphosphate OH groups.


N-carbamoyl-D-methioninate

An N-carbamoyl-D-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-carbamoyl-D-methionine. Major microspecies at pH 7.3.


Any glycero-3-monophosphate(2-) carrying a single alkyl substituent in an unspecified position (sn-1, sn-2 or sn-3).


hydroperoxydocosapentaenoate

A docosanoid anion arising from deprotonation of the carboxylic acid function of any hydroperoxydocosapentaenoic acid.


A 2-methyl-3-hydroxybutyrate that has (2S,3S)-configuration.


name: biochanin A 7-O-beta-D-glucoside 6''-O-malonate

description: Conjugate base of biochanin A 7-O-(6-O-malonyl-beta-D-glucoside).


A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of myricetin 3-O-beta-D-glucopyranoside. The major species at pH 7.3.


L-rhamnonate

A carbohydrate acid anion that is the conjugate base of L-rhamnonic acid; major species at pH 7.3.


name: heparosan N-sulfate L-iduronate polyanion

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


Major microspecies at pH 7.3.


A UDP-3-O-[(3R)-3-hydroxytetradecanoyl]-D-glucosamine(1-) in which the anomeric centre of the pyranose fragment has alpha-configuration.


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,8Z,11Z,14Z,17Z,20Z,23Z)-hydroxyhexacosahexaenoyl-CoA; major species at pH 7.3.


lysophosphatidylserine 20:1(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 20 carbons and 1 double bond.


A monounsaturated fatty acyl-CoA(4-) resulting from the deprotonation of the phosphate and diphosphate OH groups of erucoyl-CoA.


A cyclic tetrapyrrole anion that is the conjugate base of protochlorophyllide, 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 2-hydroxy carboxylate that is the conjugate base of 3-(indol-3-yl)lactic acid.


coenzyme F420-1(3-)

The tri-anion obtained by removing protons from the phosphate and carboxylic acid groups of coenzyme F420-1.


A methyl-branched fatty acyl-CoA(4-) with fatty acid chain of undefined length containing a oxo group at position 3 and a methyl substituent at the (omega-1) position.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-2,3-bis(3-hydroxytetradecanoyl)-D-glucosamine; major species at pH 7.3.


A 3-hydroxytetracosanoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (3S)-3-hydroxytetracosanoic acid.


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


A tricarboxylic acid anion obtained by deprotonation of the carboxy and phosphate groups of 5-methyltetrahydrosarcinapterin; major species at pH 7.3.


(R)-methylmalonate semialdehyde

2-methyl-3-oxopropanoate with R configuration at the chiral centre; major microspecies at pH 7.3.


cardiolipin 74:11(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 74 carbons and 11 double bonds.


A monounsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (5Z)-icosenoyl-CoA; major species at pH 7.3.


Conjugate base of tauropine in which the carboxy and sulfo groups are anionic and the amino group is protonated; major species at pH 7.3.


valproate

A branched-chain saturated fatty acid anion that is the conjugate base of valproic acid.


Major microspecies at pH 7.3


A tetrahydro-4-hydroxyphenylpyruvate obtained by deprotonation of the carboxy group of 3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]pyruvic acid; major species at pH 7.3.


calcitriol 25-O-(beta-D-glucuronate)

A steroid glucuronide anion that is the conjugate base of calcitriol 25-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


The anion obtained by removal of a proton from the carboxylic acid group of cerivastatin.


10,11-dihydro-12-oxoleukotriene B4(1-)

An icosanoid anion that is the conjugate base of 10,11-dihydro-12-oxoleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


divinyl chlorophyll a(1-)

A cyclic tetrapyrrole anion arising from deprotonation at the 21-position of divinyl chlorophyll a


The conjugate base of (2R,3S)-2-hydroxy-3-methylpentanoic acid.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GQ1b; major species at pH 7.3.


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


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any phosphatidylethanol; major species at pH 7.3.


N-octadecanoylglycinate

An N-acylglycinate resulting from the deprotonation of the carboxy group of N-octadecanoylglycine. The major species at pH 7.3.


Major species at pH 7.3


Conjugate base of (1R,6S)-1,6-dihydroxy-4-methylcyclohexa-2,4-diene-1-carboxylic acid.


A fatty acid-taurine conjugate obtained by deprotonation of the sulfonate group of N-[15(S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoyl]taurine; major species at pH 7.3.


Conjugate base of (R)-piperazine-2-carboxylic acid.


methioninate

A sulfur-containing amino-acid anion that is the conjugate base of methionine, arising from deprotonation of the carboxy group.


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


Tetraanion of 2-methylcrotonoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 22 carbons and 1 double bond.


A nucleotide-sugar oxoanion obtained by deprotonation of the phospho and carboxy groups of any CMP-N-acyl-beta-neuraminic acid; major species at pH 7.3.


An alpha-amino-acid anion that is the conjugate base of S-sulfo-L-cysteine; major species ar pH 7.3.


An N-acetyl-D-hexosamine 1-phosphate(2-) in which the anomeric centre has alpha-configuration.


An epoxy hydroxyeicosapentaenoate anion arising from deprotonation of the carboxylic acid function of 5(S),6(S)-epoxy-18(R)-hydroxy-(7E,9E,11Z,14Z,16E)-eicosapentaenoic acid; major species at pH 7.3.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 7-methyloctanoyl-CoA. Major species at pH 7.3.


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


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


An acyl-CoA(4-) that is the tetraanion of 3-methylbut-2-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


A hydroxy monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxymandelic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


D-arabinonate

Conjugate base of D-arabinonic acid.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3beta-hydroxychola-5,22-dien-24-oyl-CoA; major species at pH 7.3.


Trianion of 2-(alpha-D-mannosyl)-3-phosphoglyceric acid arising from deprotonation of carboxylic acid and phosphate functions; major species at pH 7.3.


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


A phenolate anion obtained by deprotonation of the 4'-hydroxy group of licodione. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and carboxylic acid functions of (3R)-citramalyl-CoA.


N-choloyl-L-alpha-amino acid anion

The conjugate base of an N-choloyl-L-alpha-amino acid.


An (omega-1)-hydroxy fatty acid anion that is the conjugate base of 21-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion resulting from deprotonation of the carboxy group of haloxyfop-P.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and 7-hydroxy groups of cyanidin 3-O-[6-O-(4-O-beta-D-glucosyl-p-coumaroyl)-2-O-(2-O-sinapoyl-beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside).


N,N-dihydroxytrihomomethioninate

Conjugate base of N,N-dihydroxytrihomomethionine.


The alpha-amino-acid anion resulting from the removal of the proton from the carboxylic acid group of L-thyroxine.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GT3; major species at pH 7.3.


glycocholate

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


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 19-(4-hydroxyphenyl)nonadecanoyl-AMP; the major species at pH 7.3.


hexacyclonate

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


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


lucifer yellow anion

An anionic fluorescent dye derived from 4-amino-1,8-naphthalimide.


globostellatate B(1-)

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


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


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


(E)-2-methylgeranyl diphosphate(3-)

An organophosphate oxoanion resulting from deprotonation of the three diphosphate OH groups of (E)-2-methylgeranyl diphosphate.


A 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the 2-acyl group is specified as (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl (arachidonoyl).


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


alpha-muricholate

A bile acid anion resulting from the deprotonation of the carboxy group of alpha-muricholic acid. The major species at pH 7.3.


A phenolate anion that is the conjugate base of sulochrin, obtained by deprotonation of one of the phenolic hydroxy groups; major species at pH 7.3.


linoleate

An octadecadienoate with cis- double bonds at the 9- and 12- positions; the conjugate base of linoleic acid.


The dicarboxylic acid dianion formed from (2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinic acid by proton loss from both carboxy groups; major species present at pH 7.3.


(R,R)-chrysanthemyl diphosphate(3-)

Trianion of (R,R)-chrysanthemyl diphosphate.


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


A monounsaturated fatty acid anion that is the conjugate base of (2E)-oct-2-enoic acid. Major species at pH 7.3.


cardiolipin 76:11(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 76 carbons and 11 double bonds.


An organosulfonate oxoanion that is the conjugate base of 6-sulfo-D-quinovose, obtained by deprotonation of the sulfonate OH group; major species at pH 7.3.


phosphatidylserine O-42:5(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 42 carbons and 5 double bonds.


An organic anion obtained by selective deprotonation of the 2-hydroxy group of norsolorinic acid.


A (4-alkanoyl-5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [4-(6-methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate; major species at pH 7.3.


An inositol phosphophytoceramide(1-) having a tetracosanoyl 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. Major species at pH 7.3.


A 2-hydroxy-6-oxonona-2,4,7-trienedioate having (2Z,4E,7E)-configuration.


benzenesulfinate

An organosulfinate that is the conjugate base of benzenesulfinic acid obtained by deprotonation of the sulfinic acid group.


The R-enantiomer of 2-hydroxyhexadecanoate.


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


phosphatidylserine O-36:2(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 36 carbons and 2 double bonds.


The hydroxybenzoate anion formed by loss of a proton from the carboxy group of 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoic acid. The major species present at pH 7.3.


prostaglandin E2(1-)

The conjugate base of prostaglandin E2; major species at pH 7.3.


The arenesulfonate formed from 2-amino-6-chloro-4-(3-sulfoanilino)-1,3,5-triazine by loss of a proton from the 3-sulfoanilino moiety.


An anionic unsymmetrical C7 cyanine dye having differentially substituted indoleinine groups at each end.


fatty acid anion 10:0

Any saturated fatty acid anion containing 10 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


An alpha-amino-acid anion obtained by deprotonation of the two carboxy groups and protonation of the amino group of 3-methylthioaspartic acid.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of trans,octacis-decaprenylphospho-beta-D-ribofuranose; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#37, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


oxamate

A monocarboxylic acid anion arising from deprotonation of the carboxy group of oxamic acid.


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


A dialkyl phosphate anion formed by deprotonation of both the phosphoric and carboxylic acid groups of 6-(O-phosphocholine)hydroxyhexanoic acid.


Pentaanion of (R)-methylmalonyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


Major species at pH 7.3


fructosylglycinate

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


An acyl-CoA(4-) resulting from the removal of all four protons from the phosphate and diphosphate groups of 3-hydroxy-9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oyl-CoA; major species at pH 7.3.


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


Tricarboxylate anion of (carboxymethoxy)succinic acid; major species at pH 7.3.


vanillate

A methoxybenzoate that is the conjugate base of vanillic acid.


A polyunsaturated hydroxy fatty acid anion that is the conjugate base of 15(S)-HETE.


An organophosphate anion resulting from deprotonation of at least one of the acidic hydroxy groups from the triphosphate moiety of a 2'-deoxyribonucleoside triphosphate.


N-acetyl-D-glucosamine 6-sulfate(1-)

The  organosulfate oxoanion formed by proton loss from the sulfate group of N-acetyl-6-O-sulfo-D-glucosamine.


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


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


An organic anion resulting from the deprotonation of the enol moiety of trichosetin.


A coumarate that is the conjugate base of 2-coumaric acid.


N-acetyl-beta-muramate 6-phosphate

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


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


An alpha-amino-acid anion that is the conjugate base of 2-aminooctanoic acid, arising from deprotonation of the carboxy group.


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


dexamethasone phosphate(2-)

A steroid phosphate oxoanion obtained by deprotonation of the phosphate OH groups of dexamethasone phosphate.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-N-hydroxy-beta-L-evernosamine(2-); major species at pH 7.3.


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


The organophosphate oxoanion of overall charge -4 formed from undecaprenyldiphospho-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine at pH 7.3.


A carboxylic acid anion obtained by deprotonation of the carboxy group of any N-acyl-(2S)-hydroxyglycine.


A ribonucleoside triphosphate oxoanion arising from deprotonation of three of the four triphosphate OH groups of cytidine 5'-triphosphate; major species at pH 7.3.


Major species at pH 7.3.


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


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


An alkanesulfonate that is obtained by removal of a proton from the sulfonic acid group of propane-2-sulfonic acid .


An organosulfate oxoanion obtained by deprotonation of the sulfate group of N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-3-sulfogalactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide; major species at pH 7.3.


fatty acid anion 14:0

Any saturated fatty acid anion containing 14 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


N-chloroacetyl-D-phenylalaninate

An N-acyl-D-alpha-amino acid anion that is the conjugate base of N-chloroacetyl-D-phenylalanine, arising from the deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of (+)-8'-hydroxyabscisic acid.


2,6-dimethylheptyl sulfate

An organosulfate oxoanion that is the conjugate base of 2,6-dimethylheptyl hydrogen sulfate.


A carbohydrate acid anion that is the conjugate base of 3,6-anhydro-L-galactonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


1-alkylglycerone 3-phosphate(2-)

An anionic phospholipid obtained by deprotonation of the phosphate OH groups of any 1-alkylglycerone 3-phosphate.


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


cytoporphyrinate

A doubly-charged cyclic tetrapyrrole anion obtained by deprotonation of the two pyrrole NH groups of cytoporphyrin.


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


A ganglioside GD1(2-) consisting of the hexasaccharide alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Gal attached to the primary hydroxy function of a ceramide with an undefined sphingoid base. The carboxy groups of the two sialyl residues are deprotonated.


taurochenodeoxycholate

An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 14,15-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A carbohydrate acid anion obtained by deprotonation of the carboxy group of (7R)-6-deoxy-D-manno-oct-7-ulosuronic acid; major species at pH 7.3.


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


The anion resulting from the removal of a proton from the carboxylic acid group of 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid.


pheophorbide a(2-)

Dianion of pheophorbide a.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 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-2-phenyl-9-(3-sulfopropyl)-8,9-dihydropyrano[3,2-g]quinolin-1-ium


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


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


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


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

A flavonoid oxoanion that is the conjugate base of vitexin 2''-O-beta-L-rhamnoside obtained by deprotonation of the OH group at position 7 on the chromene. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


phosphatidylserine 40:5(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 40 carbons in total and 5 double bonds.


The L-enantiomer of tyrosinate(2-).


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


cardiolipin 72:5(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 5 double bonds.


A phenolate anion that is the conjugate base of ascochlorin resulting from the deprotonation of the 4-hydroxy group. Major species at pH 7.3.


The conjugate base of a 1-alkylglycero-3-phosphoinositol compound. The alkyl group may be attached to the sn-1 or sn-3 position.


Dicarboxylate anion of 2,4-dihydroxyhept-2-enedioic acid.


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


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


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


o-orsellinate

A dihydroxybenzoate that is the  conjugate base of o-orsellinic acid.


glucuronoxylan D-glucuronate polyanion

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


12,20-dioxoleukotriene B4(1-)

A leukotriene anion that is the conjugate base of 12,20-dioxoleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate; major species at pH 7.3.


A C4-dicarboxylate that is the dianion obtained by the deprotonation of both the carboxy groups of aspartic acid.


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


A 3-(3-sulfooxyphenyl)propanoic acid anion obtained by deprotonation of the carboxy and sulfo groups of 3-(3-sulfooxyphenyl)propanoic acid.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-octadecanoyl-2-(9Z)-hexadecenoyl-sn-glycero-3-phosphate.


xylitol 5-phosphate(2-)

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


A 3-hydroxydecanoyl-3-hydroxydecanoate resulting from the deprotonation of the carboxy group of (R,R)-3-(3-hydroxydecanoyloxy)decanoic acid. The major species at pH 7.3.


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


streptothricin D acid (pH 7.3)

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


cardiolipin 72:4(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 4 double bonds.


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


A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxypropionic acid.


cephalosporin C(1-)

Conjugate base of cephalosporin C.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of trans,octacis-decaprenylphospho-beta-D-arabinofuranose; major species at pH 7.3.


lysophosphatidylserine 26:0(1-)

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


Conjugate base of 5-methylbarbituric acid.


A C76 alpha-mycolate having a C50 meromycolic chain and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


gibberellin A17(2-)

A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A17.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 3-[(3aS,4S,5R,7aS)-5-hydroxy-7a-methyl-1-oxo-octahydroinden-4-yl]propanoyl-CoA; major species at pH 7.3.


A nucleotide-sugar oxoanion that is the dianion of UDP-D-galactofuranose.


4-methylcatechol monosulfate anion

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any 4-methylcatechol monosulfate.


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


ADP alpha-D-glucoside(2-)

A nucleotide-sugar oxoanion resutling from the deprotonation of both free OH groups of the diphosphate group of ADP alpha-D-glucoside.


Conjugate base of L-2-aminoadipic acid.


A carbohydrate acid anion obtained by deprotonation of the carboxy and phospho groups of 3-deoxy-alpha-D-manno-2-octulosonic acid 8-phosphate; major species at pH 7.3.


(R)-2-halocarboxylic acid anion

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


phosphatidylserine 42:3(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 3 double bonds.


A polyunsaturated fatty acid anion that is the conjugate base of (7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organic anion that is the major structure of chlortetracycline at pH 7.3 (according to Marvin v 6.2.0.).


Major microspecies at pH 7.3.


Tetraanion of (S)-3-hydroxylauroyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.


A 1-hexadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) obtained by deprotonation of the phosphate OH group of 1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-D-myo-inositol.


The monocarboxylic acid anion formed by loss of a proton from the carboxy group of (1S,3R)-3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid; major microspecies at pH 7.3.


Major species at pH 7.3


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


D-galactosaminate

A galactosaminate that is the conjugate base of D-galactosaminic acid.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of UDP-N-acetyltunicamine-uracil.


Tetraanion of 3-oxodecanoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; principal microspecies at pH 7.3.


19-hydroxyleukotriene B4(1-)

A leukotriene anion that is the conjugate base of 19-hydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Ins-1-P-Cer B/B' 46:0(1-)

An Ins-1-P-Cer B/B'(1-) in which the acyl group and the ceramide base contain a total of 46 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.


prostanoid anion

An icosanoid anion that is the conjugate base of a prostanoid.


The conjugate base of a phosphatidyl-L-serine compound.


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


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


The monocarboxylic acid anion formed by deprotonating ceftizoxime at the carboxyl oxygen.


An acyl-CoA(4-) that is the tetraanion of thiophene-2-carbonyl-CoA, arising from deprotonation of phosphate and diphosphate functions.


cardiolipin 74:8(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 74 carbons and 8 double bonds.


A dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 5-dehydro-4-deoxy-D-glucarate.


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


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


cardiolipin 68:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 68 carbons and 3 double bonds.


phosphatidylserine O-32:5(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 32 carbons and 5 double bonds.


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

An organophosphate oxoanion that is the conjugate base of 3',5'-cyclic IMP arising from deprotonation of the free phosphate OH group; major species at pH 7.3.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (10E,12Z)-hexadecadienoyl-CoA; major species at pH 7.3.


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


A steroid acid anion that is the conjugate base of (25S)-Delta(7)-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An oxo monocarboxylic acid anion obtained by deprotonation of the carboxy as well as the 5-hydroxy group of nogalonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any 3-(omega-methylthio)alkylmalic acid; major species at pH 7.3.


D-fructofuranuronate

The conjugate base of D-fructofuranuronic acid.


An enolate anion resulting from the deprotonation of the hydroxy group of 6-chloro-3-hydroxypyridine-2,5-dione. The major species at pH 7.3.


N-acetyl-beta-neuraminate

A monocarboxylic acid anion resulting from deprotonation of the carboxy group of N-acetyl-beta-neuraminic acid.


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


Pentaanion of 5-O-phosphono-alpha-D-ribofuranosyl diphosphate arising from deprotonation of the phosphate and diphosphate OH groups; major species at pH 7.3.


(Kdo)2-lipid A(6-) (E. coli)

A carbohydrate acid derivative anion that is the hexa-anion of Kdo2-lipid A arising from deprotonation of both the carboxyl and phosphate functions.


beta-casomorphin-6 (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-6. It is the major species at pH 7.3.


A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid.


name: methylprednisolone 21-suleptanic acid ester(1-)

description: An organosulfonate oxoanion that is the conjugate base of methylprednisolone 21-suleptanic acid ester, obtained by deprotonation of the sulfo group. Major species at pH 7.3.


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

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


An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of Mo(VI)-molybdopterin cytosine dinucleotide.


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


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


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 2-acyl-sn-glycero-3-phospho-(1'-sn-glycerol); major species at pH 7.3.


cardiolipin 84:20(2-)

A cardiolipin(2-) in which the four phosphatidyl acyl groups contain a total of 84 carbons and 20 double bonds.


D-valinate

The D-enantiomer of valinate.


menadione sulfonate

An organosulfonate oxoanion that is the conjugate base of menadione sulfonic acid, arising from deprotonation of the sulfo group; major species at pH 7.3.


Anion of delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside arising from deprotonation of the malonyl carboxy and 5-hydroxy groups.


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


A polyunsaturated fatty acid anion that is the conjugate base of 13-oxo-9Z,11E-ODE, arising from deprotonation of the carboxylic acid function; 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,29Z)-3-hydroxydotriacontapentaenoyl-CoA; major species at pH 7.3.


A retinoate that is the conjugate base of 9-cis-retinoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of phosphinothricin arising from deprotonation of the phosphinate function.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-oxepin-2(3H)-ylideneacetyl-CoA; major species at pH 7.3.


pyrrolecarboxylate

A monocarboxylic acid anion comprising any pyrrole carrying a single carboxylate substiuent.


Dianion of N-acetyl-beta-D-glucosamine 6-phosphate.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of any alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminide


dehydroglycinate

The carboxylate anion of 1,2-didehydroglycine.


A (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8Z,11R,12R,14Z)-11,12-dihydroxyicosatrienoic acid; major species at pH 7.3.


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


Conjugate base of L-mimosine.


A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 2-dehydropantoic acid.


A monocarboxylic acid anion that is the conjugate base of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid, formed ny proton loss from the carboxy group.


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


The hydroxy monocarboxylic acid anion that is the conjugate base of 3-(6-hydroxyindol-3-yl)lactic acid.


A peptide anion resulting from the deprotonation of the five carboxy groups and protonation of the L-arginine nitrogen; Major species at pH 7.3.


A cyclic tetrapyrrole anion that is the conjugate base of 12-ethyl-8-propyl-3-vinylbacteriochlorophyllide d, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GT1c; major species at pH 7.3.


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


eosin b(2-)

A phenolate anion which is a dianion obtained by the deprotonation of both the phenolic OH groups of eosin b diphenol.


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


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


testosterone sulfate(1-)

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


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


A dicarboxylic acid dianion obtained by removal of a proton from both of the carboxylic acid groups of 3-(acetamidomethylidene)-2-(hydroxymethyl)succinic acid.


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


Conjugate base of 2-oxo-1,2-dihydroquinoline-4-carboxylic acid.


An alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol)(2-) in which the anomeric centre has alpha-configuration.


Dianion of N-acetyl-D-glucosaminyldiphosphodolichol.


An anionic phospholipid obtained by deprotonation of the phosphate and carboxy groups and protonation of the amino group of any 1-(alk-1-enyl)-sn-glycero-3-phosphoserine.


pyropheophorbide a anion

Conjugate base of pyropheophorbide a arising from deprotonation of the carboxylic acid function.


Ins-1-P-6-Man-1-6-Ins-1-P-Cer D(2-)

An Ins-1-P-6-Man-1-6-Ins-1-P-Cer (2-) in which the acyl group is hydroxylated at position 2 and one other position and the ceramide base is hydroxylated at position 4.


flavokermesate 7-C-beta-D-glucoside(2-)

The beta configuration has been determined in Fiecchi et al (1981) J. Org. Chem. DOI:10.1021/jo00320a061. for kermesic acid


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of any 1-alkyl-2-acyl-sn-glycero-3-phosphate.


cardiolipin 62:2(2-)

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


phosphatidylserine O-42:3(1-)

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


The conjugate base of dolichyl N-acetyl-alpha-D-glucosaminyl phosphate arising from deprotonation of the phosphate OH group; major species at pH 7.3.


dotriacontanoate

An ultra-long-chain fatty acid anion that is the conjugate base of dotriacontanoic acid (lacceroic acid), obtained by deprotonation of the carboxy group.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups as well as protonation of the endocyclic nitrogen at position 3 in the imidazole ring of 5-amino-1-(5-phospho-beta-D-ribosyl)imidazole. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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


Major species at pH 7.3.


oxo-ETE anion

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


pipecolate

A piperidinecarboxylate that is the  conjugate base of pipecolic acid.


quinol sulfate(1-)

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


13,14-dihydrolipoxin A4(1-)

A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydrolipoxin A4; major species at pH 7.3.


desferrioxamine E(3-)

A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrioxamine E.


methylsuccinate

A dicarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of 3-methylsuccinic acid.


glyoxylates

Compounds containing a carboxylatocarbonyl (glyoxylate) group.


The conjugate base of cis-2-chloro-4-carboxymethylenebut-2-en-1,4-olide.


tetracosenoate

A monounsaturated fatty acid anion that is the conjugate base of tetracosenoic acid, arising from deprotonation of the carboxylic acid group. Major species at pH 7.3.


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


A leukotriene anion obtained by deprotonation of the carboxylic acid functions of 20-hydroxy-20-oxoleukotriene B4-20-(beta-D-glucuronide); major species at pH 7.3.


Biebrich scarlet(2-)

An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of Biebrich scarlet.


holothurin A3(1-)

An  organosulfate oxoanion obtained by the deprotonation of the sulfo group of  holothurin A3 acid.


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


A phosphatidylinositol anion where the inositol is phosphorylated at position 3 and either phosphorylated or not at position 4 and/or position 5; major species at pH 7.3.


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


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 4-O-beta-D-glucosyl-trans-sinapic acid. The major species at pH 7.3.


A 3-oxo monocarboxylic acid anion that is the conjugate base of sordaricin, arising from deprotonation of the carboxy group; major species at pH 7.3.


Any anionic phospholipid in which the phosphatidyl fatty acyl group at position 2 has a methylene bridge across positions 9 and 10.


An acyl-CoA(4-) that is the tetraanion of 5-hydroxypentanoyl-CoA, arising from deprotonation of phosphate and diphosphate functions.


15-oxolipoxin A4(1-)

A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 15-oxolipoxin A4; major species at pH 7.3.


pyrroloquinoline quinone(3-)

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


cholate 7-sulfate(2-)

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


Major species at pH 7.3


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


An organophosphate oxoanion that is the conjugate base of aminomethylphosphonic acid, obtained by deprotonation of the phosphonic acid group and protonation of the amino group; major species at pH 7.3.


beta-alaninate

A beta-amino-acid anion that is the conjugate base of beta-alanine.


1-alkylglycerol 3-phosphate(2-)

The conjugate base of a 1-alkylglycerol 3-phosphate compound. The alkyl group may be attached to the sn-1 or sn-3 position.


alpha-D-galacturonate

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


Conjugate base of 2-formamido-N(1)-(5-phospho-D-ribosyl)acetamidine.


Conjugate base of 5(S)-HPETE arising from deprotonation of the carboxylic acid function.


Alexa Fluor 405(3-)

An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of 8-[2-(4-{[(2,5-dioxopyrrolidin-1-yl)oxy]carbonyl}piperidin-1-yl)-2-oxoethoxy]pyrene-1,3,6-trisulfonic acid.


A nucleotide-sugar oxoanion that is the dianion of CDP-abequose, arising from deprotonation of the two free diphosphate OH groups.


D-tryptophanate

The D-enantiomer of tryptophanate.


N,N-dihydroxypentahomomethioninate

Conjugate base of N,N-dihydroxypentahomomethionine.


(+)-dihydrokaempferol 7-oxoanion

Conjugate base of (+)-dihydrokaempferol.


neopentalenolactone D(1-)

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


A dihydroxybenzoate that is the conjugate base of 3-methylorsellinic acid, obtained by the deprotonation of the carboxy group. It is the major species at pH 7.3.


branched-chain fatty acid anion

Any fatty acid anion with a carbon side-chain or isopropyl termination.


pregnanoic acid anion

Any steroid acid anion based on a pregnane skeleton.


Major species at pH 7.3


alpha-maltose 6'-phosphate(2-)

Dianion of maltose 6'-phosphate arising from deprotonation of both OH groups of the phosphate.


A 3-oxo-fatty acyl CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (5Z)-3-oxotetradecenoyl-CoA; major species at pH 7.3.


A tricarboxylic acid trianion resulting from deprotonation of the three carboxy groups of (2Z,4E)-4-carboxy-2-hydroxyhexa-2,4-dienedioic acid.


L-threoninate

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


7,4'-O-dimethylkaempferol 3-olate

Major microspecies at pH 7.3.


A dicarboxylic acid monoanion that is the conjugate base of any O-carboxyacyl-L-carnitine, obtained by deprotonation of the free carboxy group.


margarate

A straight-chain saturated fatty acid anion that is the conjugate base of margaric acid, obtained by deprotonation of the carboxy group.


A phenolate anion that is the conjugate base of 4'-O-methylxanthohumol, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


20-hydroxylipoxin B4(1-)

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


chondroitin 4',6'-disulfate anion

A polysaccharide acid oxoanion arising from global deprotonation of the carboxylic and sulfonic acid groups of the repeating units in chondroitin 4',6'-disulfate; major species at pH 7.3.


Ins-1-P-6-Man-1-6-Ins-1-P-Cer A(2-)

An Ins-1-P-6-Man-1-6-Ins-1-P-Cer(2-) in which the acyl group is not hydroxylated at position 2 and the ceramide base is not hydroxylated at position 4.


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


The D-threo-form of isocitrate(3-).


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


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


A GDP-L-galactose(2-) having beta-configuration at the anomeric centre of the L-galactose fragment.


An EET(1-) that is the conjugate base of 5,6-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A hydroperoxyicosatrienoate resulting from the deprotonation of the carboxy group of (8Z,11Z,13E,15S)-15-hydroperoxyicosa-8,11,13-trienoic acid. The major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of the phospho and carboxy groups of 2,3-bisphospho-D-glyceric acid; major species at pH 7.3.


trioxilin anion

An anion of a trioxilin formed by deprotonation of the carboxylic acid moiety.


2,3-saturated fatty acid(1-)

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


N-formyl-L-phenylalaninate

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


Major microspecies at pH 7.3.


A 3-sn-phosphatidyl-L-serine(1-) in which the 1-acyl group is specified as oleoyl.


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


aromatic carboxylate

A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3.


A hydroxy fatty acid anion that is the conjugate base of (12Z,15Z,18Z,21Z,24Z)-2-hydroxytriacontapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 28:6(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 6 double bonds.


Conjugate base of 12(S)-HPETE arising from deprotonation of the carboxylic acid function.


lipid IVA(4-)

Tetraanion of lipid IVA.


The dianion obtained by deprotonation of the phenol and carboxy functions of  (4-hydroxy-3-nitrophenyl)acetic acid.


coproporphyrin III(4-)

A cyclic tetrapyrrole anion obtained by deprotonation of the four carboxy groups of coproporphyrin III; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 5,20-di-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


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


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


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


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


A monocarboxylic acid anion that is conjugate base of ascr#10 resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


8-hydroxyquinoline N-oxide(1-)

An organic anion arising from the deprotonation of the hydroxy group of 8-hydroxyquinoline N-oxide; major microspecies at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate OH groups of pyridinium-3,5-bisthiocarboxylic acid mononucleotide; major species at pH 7.3.


(5Z,9E,11Z,14Z,17Z)-8-hydroperoxyicosapentaenoate in which the 8-hydroperoxy group has R-configuration.


An organosulfonate oxoanion obtained by deprotonation of the sulfonic acid groups of naphthalene blue black CS (acid form).


An N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as lauroyl (dodecanoyl) while the phosphatidyl acyl groups are both specified as oleoyl (9Z-octadecenoyl); major species at pH 7.3.


Conjugate base of N-amidino-L-aspartate arising from deprotonation of the carboxy groups and protonation of the guanidino group; major species at pH 7.3.


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


lactose 6-phosphate(2-)

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


A glycerophosphoglycerol resulting from partial hydrolysis of a phosphatidylglycerol, which removes one of the fatty acid groups.


An organophosphate oxoanion that is MgADP which has lost the proton attached to the diphosphate moiety.


Man-1-6-Ins-1-P-Cer B/B'(1-)

A  mannosylinositol phosphorylceramide(1-) in which either the acyl group is hydroxylated at position 2 or the ceramide base is hydroxylated at position 4.


A tricarboxylate arising from deprotonation of the three carboxylic acid groups of aerobactin; major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of the diphosphate OH groups of thymidine 5'-diphosphate; major species at pH 7.3.


A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoate in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialised proresolving mediators


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


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

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


octanoate

A straight-chain saturated fatty acid anion that is the conjugate base of octanoic acid (caprylic acid); believed to block adipogenesis.


omega-oxo fatty acid anion

A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any omega-oxo fatty acid; major species at pH 7.3.


An acyl-CoA(4-) that is the tetraanion of 3-fluorobenzoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of UDP-3-O-(3-hydroxytetradecanoyl)-N-acetyl-beta-glucosamine.


An organic sulfur anion obtained by deprotonation of the sulfanyl group of any (E)-omega-[(methylsulfanyl)alkyl]thiohydroximic acid.


quercetin 3,3',7-trissulfate(3-)

Trianion of quercetin 3,3',7-trissulfate arising from deprotonation of the three sulfate OH groups.


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


Major species at pH 7.3


N-acyl-gamma-aminobutyrate

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


The conjugate base of 2-hydroxy-6-oxohexa-2,4-dienoic acid; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of N-[(7,8-dihydropterin-6-yl)methyl]-4-(beta-D-ribofuranosyl)aniline 5'-phosphate.


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


N-oleoylglycinate

An N-acylglycinate resulting from the deprotonation of the carboxy group of N-oleoylglycine. It is believed to be an intermediate in oleamide biosynthesis. The major species at pH 7.3.


Anion of 6-O-sulfono-D-glucono-1,5-lactone arising from deprotonation of the sulfate OH group; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of any dihydrodipicolinic acid.


Tricarboxylate anion of (3E)-5-oxopent-3-ene-1,2,5-tricarboxylic acid.


A 2-hydroxy fatty acid anion that is the conjugate base of 2-hydroxy-4-methylvaleric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


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


tetradecyl sulfate

An organosulfate oxoanion that is the conjugate base of tetradecyl sulfonic acid, obtained by deprotonation of the O-sulfo group.


aromatic amino-acid anion

An aromatic amino acid whose alpha-carboxylic acid group is ionized (non-protonated).


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


The organophosphate oxoanion that at pH 7.3 is the major microspecies present of undecaprenyldiphospho-N-acetyl-(N-acetylglucosaminyl)muramoyl-L-alanyl-D-isoglutaminyl-(glycyl)3-L-lysyl-D-alanyl-D-alanine, formed by loss of two protons from the diphospho group.


The conjugate base of 3',4',5,7-tetrahydroxy-3-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.


validoxylamine A 7'-phosphate(1-)

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


An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-[(+)-7-isojasmonyl]-L-isoleucine; major species at pH 7.3.


A dihydroxybenzoate that is the conjugate base of 3-bromo-4,5-dihydroxybenzoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


rosmarinate

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


A long-chain unsaturated fatty acid anion that is the conjugate base of (13Z,16Z)-docosadienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


fatty acid anion 6:0

Any saturated fatty acid anion containing 6 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


epoxypheophorbide a(1-)

A cyclic tetrapyrrole anion that is the conjuagte base of epoxypheophorbide a. Major microspecies at pH 7.3 (according to Marvin v. 6.2.0).


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 and C-3 of the very-long-chain fatty acid. Major species at pH 7.3.


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

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


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of (S)-4-hydroxy-2,3-pentanedione-5-yl phosphate. Major structure at pH 7.3.


mannosylinositol phosphorylceramide(1-)

An anionic phospholipid obtained by deprotonation of the phosphate OH group of any mannosylinositol phosphorylceramide; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (5Z,8Z,11Z,14Z,17Z)-icosapentaenoyl-CoA.


triacontahexaenoate

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


An organophosphate oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 6-hydro-beta-NAD; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of N-hexanoylphytosphingosine 1-phosphate; major species at pH 7.3.


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


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


N-hydroxy-L-pentahomomethioninate

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


Dianion of 2-C-methyl-D-erythritol 2,4-cyclic diphosphate.


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


phosphatidylinositol 30:1(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 1 double bond.


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


Major species at pH 7.3


A 1-alkyl-2-acylglycero-3-phosphoinositol(1-) in which the 1-alkyl substituent can be any alk-1-enyl group


D-tagatopyranose 1-phosphate(2-)

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


An organophosphate oxoanion that is a trianion obtained via deprotonation of the carboxy and phosphate OH groups of 6-phospho-2-dehydro-3-deoxy-D-galactonic acid; major species at pH 7.3.


prostaglandin E1(1-)

Conjugate base of prostaglandin E1.


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


Trianion of 5-methyl-5,6,7,8-tetrahydromethanopterin arising from deprotonation of carboxy and phosphate OH groups; major species at pH 7.3.


hexacosapentaenoate

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


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (6Z)-hexadecenoyl-CoA.


Conjugate base of (R)-beta-alanopine.


UDP-beta-L-iduronic acid

A UDP-L-iduronate in which the anomeric centre of the sugar component has beta-configuration.


An organosulfonate oxoanion resulting from the removal of a proton from both of the sulfo groups of 4-[(2,4-dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid.


name: alpha-D-mannosyl-6-(1D-myo-inositol phospho)-(1<->6)-1D-myo-inositol-1-phospho-N-(2-hydroxy-very-long-chain fatty acyl)-(R)-4-hydroxysphingoid base


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


A 2-hydroxy-6-oxohexa-2,4-dienoate having (2E,4Z)-configuration.


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


S-substituted N-acetyl-L-cysteinate

A sulfur-containing amino-acid anion arising from deprotonation of the carboxylic acid function of any S-substituted N-acetyl-L-cysteine.


Major microspecies at pH 7.3.


resolvin D5(1-)

A dihydroxydocosahexaenoate that is the conjugate base of resolvin D5, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A 5(),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoate in which the 12-hydroxy group has S-configuration.


An anionic ganglioside that is the conjugate base of alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d16:1) arising from deprotonation of the neuraminosyl carboxy group; major species at pH 7.3.


Man-1-6-Ins-1-P-Cer A(1-)

A mannosylinositol phosphorylceramide in which the acyl group is not hydroxylated at position 2 and the ceramide base is not hydroxylated at position 4. Major species at pH 7.3.


desmethylnaproxen sulfate anion

An organic anion obtained by deprotonation of at least one of the acidic functions of desmethylnaproxen sulfate.


thromboxane A2(1-)

Conjugate base of thromboxane A2 arising from deprotonation of the carboxylic acid function.


citrate anion

A tricarboxylic acid anion obtained by deprotonation of at least one of the carboxy groups of citric acid.


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


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any lysophosphatidyl-1D-myo-inositol; major species at pH 7.3.


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


wogonin 7-O-beta-D-glucuronate

The monocarboxylic acid anion that is the conjugate base of wogonin 7-O-beta-D-glucuronide.


gibberellin carboxylic acid anion

A carboxylic acid anion arising from deprotonation of one or more carboxy groups of any gibberellin.


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


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


phosphatidylinositol P-38:3(1-)

1-(alk-1-enyl)-2-acyl-sn-glycero-3-1D-myo-inositol in which the alk-1-enyl and acyl groups at positions 1 and 2 contain 38 carbon atoms in total with 3 additional double bonds.


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


A monocarboxylic acid anion that is the conjugate base of 5,6-epoxyretinoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


7-oxoresolvin D2(1-)

A docosanoid anion that is the conjugate base of 7-oxoresolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A steroid acid anion that is the conjugate base of (25R)-Delta(7)-dafachronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


cardiolipin 74:9(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 74 carbons and 9 double bonds.


Tricarboxylate anion of (3S,4S)-3-hydroxytetradecane-1,3,4-tricarboxylic acid.


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


lysophosphatidylserine 16:2(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 16 carbons and 2 double bonds.


N,N-dihydroxy-L-tetrahomomethioninate

An N,N-dihydroxy-L-polyhomomethioninate that is the conjugate base of N,N-dihydroxy-L-tetrahomomethionine, 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,15Z)-3-hydroxytetracosenoyl-CoA; major species at pH 7.3.


3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvate obtained by deprotonation of the carboxy group of 3-[(1E,4R)-4-hydroxycyclohex-2-en-1-ylidene]pyruvic acid; major species at pH 7.3.


Trianion of inosine 5'-triphosphate arising from deprotonation of three of the four free OH groups of the triphosphate.


A 1,2-diacyl-sn-glycero-3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-di[(4Z,7Z,10Z,13Z,16Z,19Z)]-docosahexaenoyl-sn-glycero-3-phosphate; major species at pH 7.3.


A C82 alpha-mycolate having a C56 meromycolic chain with two cis cyclopropyl functions and a saturated C26 alpha-branch. It is produced by Mycobacterium tuberculosis H37Ra.


An icosanoid anion that is the conjugate base of 5(S),6(S)-epoxy-18-hydroxy-(7E,9E,11Z,14Z,16E)-icosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


D-arabinitol 1-phosphate(2-)

Dianion of D-arabinitol 1-phosphate.


Major microspecies at pH 7.3.


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

Dianionic form of any N-acyl-D-mannosamine 6-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of V3FucVI3NeuAc-nLc6Cer; major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of 11,12-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A retinoid glucosiduronic acid anion that is the conjugate base of 1-O-(4-oxoretinoyl)-beta-D-glucuronic acid arising from deprotonation of the carboxy group; major species at pH 7.3.


A coumarate that is the conjugate base of 4-coumaric acid.


pyruvate oxime

Conjugate base of pyruvic oxime.


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


A polyunsaturated fatty acyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3E,5Z,8Z,11Z,14Z)-icosapentaenoyl-CoA; major species at pH 7.3.


A monocarboxylic acid anion that is obtained by removal of a proton from the carbosylic acid group of 3-(2-hydroxyphenyl)propanoic acid.


gibberellin A44 (2-) (diacid form)

A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A44 (diacid form).


Dianion of UDP-beta-L-threo-pentopyranos-4-ulose arising from deprotonation of the diphosphate function.


prostaglandin I2(1-)

Conjugate base of prostaglandin I2.


A monocarboxylic acid anion that is the conjugate base of 3,4,5-trimethoxydihydrocinnamic acid, formed by proton loss from the carboxy group.


A dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 4-carboxy-2-hydroxymuconate semialdehyde hemiacetal; major species at pH 7.3.


(S)-malyl alpha-D-glucosaminide(1-)

A carbohydrate acid derivative anion obtained by deprotonation of both carboxy groups and protonation of the amino group of (S)-malyl alpha-D-glucosaminide; major species at pH 7.3.


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


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


dihydroferulate

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


N-pyruvoyl-L-glutamate

Major microspecies at pH 7.3.


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


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


(omega-1)-ethyl fatty acid anion

A fatty acid anion where the last 2 carbons (omega and omega-1) form an ethyl end. Formula:C3H5O2R


An organosulfinate oxoanion resulting from the deprotonation of the sulfino group of sulfinoacetaldehyde. The major species at pH 7.3.


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


sulforhodamine G anion

An anionic fluorescent dye derived from sulforhodamine.


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


An organic anion obtained by deprotonation of the 5 and 7 positions of cyanidin 3-O-(2-O-beta-D-glucuronosyl)-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


The monocarboxylic acid anion formed from 3-oxo-4-methylpentanoic acid; principal microspecies at pH 7.3.


A dihydroxybenzoate that is the conjugate base of 3,5-dimethylorsellinic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


17beta-estradiol 17-sulfate(1-)

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


A tartaric acid anion that is the conjugate base of 2,3-dihydroxybutanedioic acid.


A short chain fatty acyl-CoA(4-) that is the tetraanion of isovaleryl-CoA arising from deprotonation of phosphate and diphosphate functions.


A nucleotide-sugar oxoanion arising from deprotonation of the carboxy and diphosphate groups of 2''-O-glutaryl-ADP-D-ribose; major species at pH 7.3.


A benzoate that is the conjugate base of 4-formylbenzoic acid arising from the deprotonation of the carboxy group; Major microspecies at pH 7.3.


Dianion of 1-deoxy-D-threo-hexo-2,5-diulose 6-phosphate arising from deprotonation of both of the phosphate OH groups.


N-octanoylanthranilate

An amidobenzoate that is the conjugate base of N-octanoylanthranilic acid, arising from the deprotonation of the carboxy group.


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


An anionic phospholipid that is glycero-3-phosphoserine(1-) bearing a single alkyl substituent at an unspecified position (sn-1, sn-2, or sn-3).


Tetraanion of but-2-enoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


A UDP-D-galactofuranose(2-) in which the anomeric centre of the galactofuranose moiety has alpha-configuration.


The penicilloate(2-) species that is the dianion formed from benzylpenicilloic acid by deprotonation of both carboxy groups. It is the major microspecies present at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A derivative of alpha,alpha-trehalose having an O-sulfo group at the 2 position and two long chain fatty acyl substituents at the 2'- and 3'-positions.


An acyl-CoA(4-) that is the tetraanion of 2,3-dihydroxy-2,3-dihydrobenzoyl-CoA arising from deprotonation of the phosphate and diphosphate functions; major species at pH 7.3.


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA; major species at pH 7.3.


The trianion arising from deprotonation of the diphosphate hydroxy groups and the imide nitrogen of flavin mononucleotide (FMN). Major species at pH 7.3.


methacrylate

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


A flavonoid oxoanion obtained by deprotonation of the 7-hydroxy group of diosmetin; major microspecies at pH 7.3.


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,9Z,12Z,15Z,18Z,21Z)-3-hydroxytetracosapentaenoyl-CoA; major species at pH 7.3.


Reactive Blue 5 quinol form(3-)

The organosulfonate oxoanion that is the trianion of Reactive Blue 5 quinol form, obtained by loss of a proton from each of the sulfo groups; major species at pH 7.3.


L-ascorbate 6-phosphate(3-)

An organophosphate oxoanion that is the trianion formed from L-ascorbic acid 6-phosphate by deprotonation of the 3-hydroxy group and of both hydroxy groups of the phosphate function; principal species at pH 7.3.


A 2-oxo monocarboxylic acid anion  obtained by deprotonation of the carboxy and sulfino groups of 3-sulfinylpyruvic acid. Major microspecies at pH 7.3.


Dicarboxylate anion of 5-formyl-2-hydroxyhepta-2,4-dienedioic acid; major species at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->8)-alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1)-ceramide; major species at pH 7.3.


D-altronate

Conjugate base of D-altronic acid.


An NDP-alpha-D-glucose(2-) obtained by deprotonation of the diphosphate OH groups of GDP-D-glucose; major species at pH 7.3.


An inositol phosphomannosylinositol phosphophytoceramide(2-) having a tetracosanoyl group attached to the ceramide nitrogen, hydroxylation at C-4 of the long-chain base, and hydroxylation at C-2 and C-3 of the very-long-chain fatty acid. Major species at pH 7.3.


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


hydroxy fatty acid anion 16:0

Any hydroxy saturated fatty acid anion containing 16 carbons.


A pyridinedicarboxylate that is the  conjugate base of isocinchomeronate(1-).


epoxy fatty acid anion

An epoxy monocarboxylic acid anion resulting from the deprotonation of the carboxy group of any epoxy fatty acid.


An unsaturated fatty acid anion that is the conjugate base of all-cis-icosa-8,11,14-trienoic acid arising from deprotonation of the carboxy group.


D-gluconate

A gluconate having D-configuration.


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

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


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


A FADH2 analogue obtained by hydroperoxidation at the C4alpha-position; major species at pH 7.3.


A chlorobenzoate obtained by deprotonation of the carboxy group of 2,3,5-trichlorobenzoic acid. The major species at pH 7.3.


(18S)-resolvin E1(1-)

An icosanoid anion that is the conjugate base of (18S)-resolvin E1, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Major species at pH 7.3.