An organophosphate oxoanion obtained by removal of a total of three protons from the carboxy and phosphate groups of 2-O-[alpha-D-mannopyranosyl-(1->2)-alpha-D-glucopyranosyl]-3-O-phospho-D-glyceric acid; major species at pH 7.3.


An hydroperoxy(hydroxy)icosatetraenoate that is the conjugate base of (5S,6R)-dihydroxy-(15S)-hydroperoxy-(7E,9E,11Z,13E)-icosatetraenoic acid; major species at pH 7.3.


An octadecadienoyl-CoA(4-) in which the double bonds are located at positions 9 and 11 of the acyl group and have Z and E geometry, respectively.


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


lysophosphatidylserine 24:1(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 24 carbons and 1 double bond.


estrone 3-O-(beta-D-glucuronide)(1-)

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


A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-[(2-phenylethyl)carbamothioyl]glutathione; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of 1''-O-acetyl-ADP-D-ribose; major species at pH 7.3.


An ionic phospholipid that is the organophosphate oxoanion formed from phosphatidylglycerol by removal of a proton from the phosphate OH group.


Dianion of dTDP-L-dihydrostreptose arising from deprotonation of both free diphosphate OH groups.


beta-hematin

A dimer of hematin in which an iron-oxygen bond links the central iron of one hematin to the oxygen of one of the carboxylates of the adjacent hematin.


glutathione disulfide(2-)

A doubly-charged peptide anion arising from deprotonation of the four carboxy groups and protonation of the two amino groups of glutathione disulfide; major species at pH 7.3.


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


A trans-2,3-didehydroacyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of trans-oct-2-enoyl-CoA; major species at pH 7.3.


gibberellin A4(1-)

A gibberellin carboxylic acid anion that is the conjugate base of gibberellin A4, obtained by deprotonation of the carboxy group.


dotriacontahexaenoate

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


Octacarboxylate anion of precorrin-5.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy and sulfo groups of 6-deoxy-6-sulfo-D-gluconic acid; major species at pH 7.3.


A nucleotide-sugar oxoanion that is the conjugate base of dTDP-alpha-D-mycaminose, arising from deprotonation of the diphosphate group and protonation of the amino group.


An organosulfonate oxoanion obtained by deprotonation of the sulfo group of 3alpha,7alpha-dihydroxy-5beta-cholane-24-sulfonic acid.


lipid A oxoanion

A anionic phospholipid that is any anion arising from deprotonation of at least one of the phosphate OH groups of a lipid A derivative.


An icosanoid anion that is the conjugate base of (5S)-hydroperoxy-18-hydroxy-EPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


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


palmitoyllipid A(4-)

A lipid A oxoanion arising from deprotonation of the phosphate OH groups of palmitoyllipid A; major species at pH 7.3.


An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of 3-oxocholesta-4,24-dien-26-oyl-CoA; major species at pH 7.3.


A tricarboxylic acid anion that is the conjugate base of mugineic acid. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An 8,9-EET(1-) that is the conjugate base of (8R,9S)-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion arising from deprotonation of the phosphate OH and carboxy groups of 3-ADP-2-phosphoglyceric acid; major species at pH 7.3.


lipid A(4-)

Tetraanion of lipid A arising from deprotonation of both phosphate functions  (R can be either hydrogen or a fatty acyl group).


A hydroperoxyoctadecatrienoate that is the conjugate base of (9S,10E,12Z,14E,16S)-9,16-bis(hydroperoxy)octadecatrienoic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any N-acyl-1-[(1Z)-alkenyl]-2-acyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


dolichyl diphosphooligosaccharide(2-)

The conjugate base of a dolichyl diphosphooligosaccharide.


Trianion of (R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid arising from deprotonation of both the carboxyl and phosphate functions.


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


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


A 3-methoxy-4-hydroxy-5-all-trans-polyprenylbenzoate in which the polyprenyl chain contains 6 prenyl units; major species at pH 7.3.


The dicarboxylate anion of (S)-methylsuccinic acid; major species at pH 7.3.


trans-sinapate

A member of the class of cinnamates that is the conjugate base of trans-sinapic acid.


An N-acetylneuraminate that is the conjugate base of any alpha-N-acetylneuraminyl-(2->3)-beta-D-galactoside, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphopantetheine anion

An organophosphate oxoanion obtained by deprotonation of one or more phosphate OH groups of any phosphopantetheine.


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


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


Dianion of 2,3-bis-O-(geranylgeranyl)glycerol 1-phosphate; major species at pH 7.3.


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


2-aminomuconate 6-semialdehyde(1-)

Conjugate base of 2-aminomuconic 6-semialdehyde arsing from deprotonation of the carboxylic acid function.


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


triacontatetraenoate

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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of [beta-D-Galf-(1->5)-beta-D-Galf-(1->6)]14-beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol; major species at pH 7.3.


guanosine 5'-monophosphate(2-)

A nucleoside 5'-monophosphate(2-) that results from the removal of two protons from the phosphate group of GMP.


aspulvinone E(1-)

An organic anion that is the conjugate base of aspulvinone E, arising from selective deprotonation of the butenolide OH group; major species at pH 7.3.


Heptaanion of precorrin-8X.


Trianion of P(1),P(3)-bis(5'-adenosyl) triphosphate.


Major microspecies at pH 7.3.


glycerol 1-phosphodiester(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any glycerol 1-phosphodiester; major species at pH 7.3.


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (8Z,11Z,14Z)-3-oxoicosa-8,11,14-trienoyl-CoA.


A cephalosporin carboxylic acid anion having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups, formed by proton loss from the carboxy group of cefazolin.


A HETE anion that is the conjugate base of 17-HETE, arising from deprotonation of the carboxy group; major species at pH 7.3.


An organophosphate oxoanion that is the anion of adenosylcobinamide guanosyl diphosphate with overall charge -1, arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


An organic anion that is the conjugate base of 8-amino-8-demethylriboflavin, obtained by removal of the imide proton at position 3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A HEPE(1-) that is the conjugate base of 12-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


D-glucopyranose 6-phosphate(2-)

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


phosphatidylserine 44:6(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 44 carbons in total and 6 double bonds.


isolithocholate

A bile acid anion that is the conjugate base of isolithocholic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of lithocholate. It is the major microspecies at pH 7.3.


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


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


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


(+)-artemisinate

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


A nucleoside 3'-phosphate(2-) obtained by deprotonation of the phosphate OH groups of uridine 3'-monophosphate (UMP). It is the predominant species at physiological pH.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of beta-D-Galf-(1->5)-beta-D-Galf-(1->4)-alpha-L-Rhap-(1->3)-alpha-D-GlcpNAc-1-diphospho-trans,octacis-decaprenol; major species at pH 7.3.


biotinate sulfoxide(1-)

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


Major microspecies at pH 7.3.


A carboxylic acid trianion resulting from the deprotonation of the phosphate group and both carboxy groups of 7,8-dihydromethanopterin. The major species at pH 7.3.


Major species at pH 7.3.


N-acetyl-L-tryptophanate

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


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


octylsulfamate

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


inositol C20 phosphophytoceramide(1-)

An inositol phosphophytoceramide(1-) obtained by deprotonation of the phosphate OH group of any inositol C20 phosphophytoceramide; major species at pH 7.3.


phenylthioacetohydroximate

Conjugate base of phenylthioacetohydroximic acid arising from deprotonation of the acidic SH group; major species at pH 7.3.


A prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of 15-deoxy-Delta(12,14)-prostaglandin J2-S-glutathione conjugate; major species at pH 7.3.


A HODE(1-) that is the conjugate base of 13-HODE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A lysophosphatidylinositol 18:1(1-) obtained by deprotonation of the phosphate OH group of 1-oleoyl-sn-glycero-3-phospho-D-myo-inositol; major species at pH 7.3.


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


A 1-acylglycero-3-phospho-1'-glycerol(1-) in which the 1-acyl substituent is specified as hexadecanoyl; major species at pH 7.3.


A 2,3-dichloromuconate(2-) obtained by deprotonation of the carboxy groups of (2Z,4Z)-2,3-dichloromuconic acid. Major species at pH 7.3


cardiolipin 76:5(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 76 carbons and 5 double bonds.


A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt-precorrin-6B.


Any octadecatrienoate having double bonds at positions 9, 11 and 14.


A steroidal acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of 7beta-hydroxy-3-oxochol-24-oyl-CoA; major species at pH 7.3.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of (25S)-3beta-hydroxy-5-cholesten-26-oyl-CoA; major species at pH 7.3.


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


An organic anion resulting from the deprotonation of the carbamic acid group of 1-carboxybiuret.


The tetraanion of an (S)-3-hydroxyacyl-CoA compound.


The monocarboxylic acid anion that is the conjugate base of aminocyclopyrachlor formed by loss of a proton from thecarboxy group.


An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 1,3,4,5,7,8-hexahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid.


ADP-D-ribose 2'-phosphate(4-)

Tetraanion of ADP-D-ribose 2'-phosphate.


The 7-oxoanion of apigenin.


phosphatidylserine O-36:5(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 36 carbons and 5 double bonds.


A dicarboxylic acid dianion that is the conjugate base of 2-benzylsuccinic acid.


A (7Z,10Z,12E,16Z,19Z)-14-hydroperoxydocosapentaenoate in which the chiral centre at position 14 has S-configuration.


Fe-coproporphyrin III(4-)

A cyclic tetrapyrrole anion obtained by the deprotonation of the four carboxy functions of Fe-coproporphyrin III.


Tetraanion of (S)-3-hydroxybutanoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.


A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1-acyl-2-linoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


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

description: A polyanionic polymer obtained by global deprotonation of the carboxy and phosphate groups of reduced coenzyme F420-(gamma-Glu)n. Major microspecies at pH 7.3


N-hydroxy-L-dihomomethioninate

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


An organosulfonate oxoanion which is the trianion obtained by the deprotonation of the sulfo groups of tetrasulfocyanine acid.


linolenate

A polyunsaturated fatty acid anion obtained by deprotonation of the carboxy group of either alpha- or gamma-linolenic acid.


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


Pentaanion of 2,3-didehydropimeloyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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

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


Conjugate base of 5,7-dihydroxy-4'-methoxyflavone.


Tetraanion of cyclohexa-1,5-diene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions.


A hydroxy monocarboxylic acid anion that is the conjugate base of 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid.


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


desferrialbomycin delta1(3-)

A hydroxamic acid anion resulting from the removal of a proton from each of the hydroxamic acid groups of desferrialbomycin delta1.


tauroursocholate

An organosulfonate oxoanion that is the conjugate base of tauroursocholic acid, obtained by the deprotonation of the sulfonic acid group. It is the major microspecies at pH 7.3.


The conjugate base of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid; major species at pH 7.3.


Conjugate base of 3-epi-3-hydroxy-2'-deoxymugineic acid.


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

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


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


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


4-thiouridine 5'-monophosphate(2-)

A 4-thiouridin 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.


An unsaturated long-chain fatty acid anion and the conjugate base of vaccenic acid, arising from deprotonation of the carboxylic acid group.


N,N-dihydroxy-L-dihomomethioninate

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


An N-acylphosphatidylethanolamine(1-) in which the N-acyl group is specified as palmitoyl (hexadecanoyl); major species at pH 7.3.


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


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#37-CoA; major species at pH 7.3.


glycolaldehyde triphosphate(4-)

An organophosphate oxoanion obtained by removal of four protons from the triphosphate function of glycolaldehyde triphosphate; major species at pH 7.3.


A steroidal acyl-CoA(4-) oxoanion obtained by deprotonation of the phosphate and diphosphate OH groups of 12alpha-hydroxy-3-oxochola-4,6-dien-24-oyl-CoA; major species at pH 7.3.


An optically active form of (S)-3-sulfonatolactate having (S)-configuration.


hydroperoxy fatty acid anion

A fatty acid anion that is the conjugate base of any hydroperoxy fatty acid, formed by deprotonation of the carboxylic acid moiety.


An organic anion that is the monoanion obtained by the deprotonation of the 2-hydroxy group of 2-hydroxy-3-(2-hydroxyethyl)naphthalene-1,4-dione.


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


andrastin C(1-)

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


An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-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.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3,5,7-trioxododecanoyl-CoA; major species at pH 7.3.


A steroid glucuronide anion that is the conjugate base of 16-epiestriol 3-O-(beta-D-glucuronide) arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


isonocardicin A(1-)

Conjugate base of isonocardicin A zwitterion where both carboxy groups are deprotonated while the homoserine amino group is protonated.


Major microspecies at pH 7.3


An undecenoate that is the conjugate base of 10-undecenoic acid.


tetracosanoate

A straight-chain saturated fatty acid anion that is the conjugate base of tetracosanoic acid (lignoceric acid), formed by deprotonation of the carboxy group.


An alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-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.


3-vinylbacteriochlorophyllide a(2-)

A cyclic tetrapyrrole anion that is obtained from 3-vinylbacteriochlorophyllide a via deprotonation of the carboxy group and formation of a carbide ion. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 5-oxo monocarboxylic acid anion obtained by deprotonation of the carboxy and sulfate groups of 12-sulfojasmonic acid. Major species at pH 7.3


The conjugate base of a 5'-acylphosphoadenosine; major species at pH 7.3.


fatty acid anion 12:0

Any saturated fatty acid anion containing 12 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


A polyanionic polymer obtained by deprotonation of the phosphate and diphosphate groups of 4-O-({poly[3-N-acetyl-beta-D-glucosaminyl-1-D-ribitylphosphonato]}-di{[2R]-1-glycerylphosphonato})-N-acetyl-beta-D-mannosaminyl-(1->4)-N-acetyl-alpha-D-glucosaminyl ditrans,octacis-undecaprenyl diphosphate; major species at pH 7.3.


Identified in Fig. S21 peak 3


A 3-sn-phosphatidyl-L-serine(1-) that is the conjugate base of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine; major species at pH 7.3.


A phosphatidylserine 34:2 that is the conjugate base of 1-oleoyl-2-palmitoleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


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


Major species at pH 7.3


L-gamma-glutamyl-L-amino acid(1-)

A peptide anion that is the conjugate base of an L-gamma-glutamyl-L-amino acid.


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


An acylglycerophosphoacylglycerol(1-) obtained by deprotonation of the phospho group of any 2-acylglycerophospho-(2'-acylglycerol); major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of FMNH(.). Major microspecies at pH 7.3


glycodeoxycholic acid monosulfate anion

An organic anion obtained by deprotonation of at least one of the acidic functions of any glycodeoxycholic acid monosulfate.


daidzein monosulfate(1-)

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


A fluorocyclopentenylcytosine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of any 2-hydroxy-3-methylacyl-CoA.


beta-bitter acid(1-)

An organic anion obtained by deprotonation of one of the enolic hydroxy groups of any beta-bitter acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-jasmonyl-L-alpha-amino acid anion

An N-acyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of any N-jasmonyl-L-alpha-amino acid; major species at pH 7.3.


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


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


A peptide anion that is the conjugate base of gamma-Glu-Leu, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.


Conjugate base of 5-chlorosalicylic acid.


3-oxo bile acid CoA thioester(4-)

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


A thromboxane anion that is the conjugate base of 18-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


isopenicillin N(1-)

Conjugate base of isopenicillin N.


N-hydroxytetrahomomethioninate

Conjugate base of N-hydroxytetrahomomethionine.


A 3-(omega-methylthio)alkylmalate(2-) obtained by deprotonation of both carboxy groups of 3-(2-methylthioethyl)malic acid; major species at pH 7.3.


(R)-mevalonate

The (R)-enantiomer of mevalonate.


An hydroperoxy(hydroxy)icosatetraenoate that is the conjugate base of (5S)-hydroxy-(15S)-hydroperoxy-(6E,8Z,11Z,13E)-icosatetraenoic acid; major species at pH 7.3.


A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-3; major species at pH 7.3.


prostaglandin F2alpha(1-)

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


2-methoxyresorcinol sulfate(1-)

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


The monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of (8E,10S,12Z,15Z)-10-hydroperoxyoctadeca-8,12,15-trienoic acid.


A dimethylbenzoate in which the two methyl groups are located at positions 2 and 4.


A hexadienedioate compound having a 2-hydroxy substituent.


A hydroxy monocarboxylic acid anion that is the conjugate base of 3alpha-hydroxy-3,5-dihydromonacolin L acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A phosphatidylserine 34:1 that is the conjugate base of 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine, in which the carboxy and phosphate groups are anionic and the amino group is cationic.


sulfur-containing amino-acid anion

A sulfur-containing amino acid whose alpha-carboxylic acid group is ionized (not protonated).


phosphatidylserine 34:3(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 3 double bonds.


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


phosphatidylserine 36:6(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 6 double bonds.


ganglioside GP1(5-)

An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of any member of the GP1 family of gangliosides; major species at pH 7.3.


phosphatidylserine 36:2(1-)

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


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (2E,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA; major species at pH 7.3.


A peptide anion obtained by deprotonation of both carboxy groups and protonation of the glutamyl amino group of S-(1,4-dihydroxy-3-methylnaphthalen-2-yl)glutathione; major species at pH 7.3.


A 1-acyl-sn-glycero-3-phosphoserine(1-) that is the conjugate base of 1-stearoyl-sn-glycero-3-phosphoserine; major species at pH 7.3.


A phenolate anion resulting from the deprotonation of the two hydroxy groups at position 5 and 12 of cercosporin. Major microspecies at pH 7.3.


A dicarboxylic acid anion arising from deprotonation of both carboxylic acid functions of 5,6,7,8-tetrahydrofolic acid; major structure at pH 7.3


A hexacosenoate that is the conjugate base of (9Z)-hexacosenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Conjugate base of 7alpha,12alpha-dihydroxy-3-oxochol-4-en-24-oic acid.


13,14-dihydroprostaglandin F2alpha(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 13,14-dihydroprostaglandin F2alpha, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


An anionic C5 cyanine-type compound having indoleinine and chromenylium substituents at either end.


flavonol oxoanion

The conjugate base of a flavonol compound.


Conjugate base of 2,3-dihydroxy-2,3-dihydrobenzoic acid.


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-(beta-D-xylosyl)-beta-D-glucosyl]-5-O-(6-O-malonyl-beta-D-glucoside)


A phenolate anion that is the conjugate base of 2,3,5,6-tetrachlorophenol, arising from deprotonation of the acidic phenol function.


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


An organosulfate oxoanion arising from deprotonation of the sulfo and carboxy groups of (S)-2-O-sulfolactic acid.


globostellatate D(1-)

An oxo monocarboxylic acid anion obtained by the deprotonation of the carboxy group of globostellatic acid D.


3-O-methylkaempferol 7-olate

Major microspecies at pH 7.3.


Major species at pH 7.3.


A flavonoid oxoanion that is the conjugate base of 4',5,7-trihydroxy-3'-methoxyflavone arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.


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


A peptide anion obtained by deprotonation of the carboxy group of N-formyl-L-methionyl-L-leucyl-L-phenylalanine; major species at pH 7.3.


A carbohydrate acid anion that is the conjugate base of D-glucaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.


(S,S,S)-nicotianamine monoanion

The tricarboxylic acid monoanion that is the conjugate base of (S,S,S)-nicotianamine, resulting from deprotonation of the central carboxy group and zwitterion formation of the other two. One of two major microspecies at physiological pH.


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


An inositol phosphophytoceramide(1-) obtained by deprotonation of the free phosphate OH group of any inositol-1-phospho-N-acyl-(E)-phytosphing-8-enine; major species at pH 7.3.


A mannarate(1-) that is the conjugate base of L-mannaric acid.


A hydroxy monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)lactic acid; major species at pH 7.3.


salicyluric beta-D-glucuronide(1-)

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


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group  of 5alpha-androstane-3alpha,17beta-diol 3-glucosiduronic acid; major species at pH 7.3.


Tetraanion of (R)-3-hydroxybutanoyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.


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


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of any ribonucleoside 5'-diphosphate-alpha-D-glucose. Major microspecies at pH 7.3


Conjugate base of N(4)-phosphoagmatine arising from deprotonation of the N-phospho group and protonation of the guanidino group; major species at pH 7.3.


A 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5-) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as hexadecanoyl (palmitoyl).


quercetin 3,3',7-trissulfate(4-)

A flavonoid oxoanion that is a tetraanionic form of quercetin 3,3',7-trissulfate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 3-oxo-fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 2-methyl-3-oxopalmitoyl-CoA.


A peptide anion that is the conjugate base of (beta-Asp-Arg)n-Asp; major species at pH 7.3.


all-trans-polyprenol phosphate(2-)

Major structure at pH 7.3 of all-trans-polyprenol phosphate.


A hydroperoxy fatty acid anion resulting from the deprotonation of the carboxy group of 9-hydroperoxy-10E-octadecenoic acid. The major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#20-CoA; major species at pH 7.3.


Major microspecies at pH 7.3


uroporphyrin III(8-)

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


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


20-hydroxy-20-oxoleukotriene B4(2-)

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


The conjugate base of 2-dehydro-3-deoxy-D-galactonic acid; major species at pH 7.3.


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


Major species at pH 7.3


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


alaninate

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


A hydroxy monocarboxylic acid anion that is the conjugate base of (4E,6E)-3-hydroxydeca-4,6-dienoic acid.


divinyl chlorophyll b(1-)

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


name: glycochenodeoxycholic acid sulfate anion

description: An organic anion obtained by deprotonation of at least one of the acidic functions of glycochenodeoxycholic acid sulfate.


desferrioxamine B(3-)

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


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

Dianion of N-acyl-D-glucosamine 6-phosphate arising from deprotonation of the phosphate OH groups.


A phthalate that is the conjugate base of phthalic acid.


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


ultra-long-chain fatty acyl-CoA(4-)

Any very long-chain fatty acyl-CoA(4-) in which the fatty acyl group has a chain length greater than C27; major species at pH 7.3.ny


A UDP-2-acetamido-2-deoxy-D-glucuronate(3-) having alpha-configuration at the anomeric centre.


tetracosahexaenoate

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


An organic anion that is the conjugate base of versicolorone, obtained by selective deprotonation of the 2-hydroxy group.


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of phosphate and diphosphate OH groups of (3E)-tetradecenoyl-CoA; major species at pH 7.3.


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


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


A 3-sn-phosphatidyl-L-serine(1-) in which the 2-acyl group is specified as palmitoleoyl while the 1-acyl group remains unspecified.


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


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


Major species at pH 7.3.


L-serine O-sulfate(1-)

Conjugate base of L-serine O-sulfate having the carboxylic acid and sulfate functions in anionic form and a protonated nitrogen.


A steroid glucuronide anion that is the conjugate base of 5beta-pregnane 3alpha,20alpha-diol 3-O-(3-sulfo-beta-D-glucuronide) arising from deprotonation of the carboxylic and sulfate groups; major species at pH 7.3.


An acyl-CoA(4-) that is the pentaanion of (R,S)-[hydroxy(phenyl)methyl]succinyl-CoA, arising from deprotonation of phosphate, diphosphate and carboxy functions. Major species at pH 7.3.


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-4-formamido-4,6-dideoxy-alpha-D-glucose. Major microspecies at pH 7.3.


Conjugate base of 5-amino-1-(5-phospho-D-ribosyl)imidazole.


phosphatidylserine 42:2(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 2 double bonds.


15-dehydroprostaglandin A1(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 15-dehydro-prostaglandin A1, obtained by deprotonation of the carboxy group.; major species at pH 7.3.


The conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid.


A hydroxy monocarboxylic acid anion that is the conjugate base of (3R,4R)-3,4-dihydroxycyclohexa-1,5-diene-1-carboxylic acid, obtained by deprotonation of the carboxy group.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (15Z)-3-oxotetracosenoyl-CoA.


tryptophanate

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


2'-deoxyuridine 3'-monophosphate(2-)

A 2'-deoxyribonucleoside 3'-monophosphate(2-) obtained by deprotonation of the phosphate OH groups of 2'-deoxyuridine 3'-monophosphate (3'-dUMP); major species at pH 7.3.


An alpha-amino-acid anion obtained via deprotonation of the carboxy and phoisphate groups as well as protonation of the amino and guanidino groups of N-phospho-L-lombricine; major species at pH 7.3.


butyrylglycinate

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


A saturated fatty acyl-CoA(4-) obtaned by deprotonation of phosphate and diphosphate functions of tricosanoyl-CoA; major species at pH 7.3.


omega-hydroxy fatty acid anion

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


fatty acid anion 18:0

Any saturated fatty acid anion containing 18 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of 3-trans-feruloyl-CoA. Major structure at pH 7.3.


A 16-HETE(1-) that is the conjugate base of 16(S)-HETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The mono-anion resulting from the removal of a proton from one of the carboxyic acid groups of ertapenem.


name: polyunsaturated dicarboxylic acid dianion

description: A dicarboxylic acid dianion having 2 or more units of unsaturation.


A lipid IVA oxoanion arising from deprotonation of the phosphate OH groups and protonation of the amino group of 7-O-[(2-aminoethyl)phosphoryl]-alpha-Kdo-(2->4)-alpha-Kdo-(2->6)-lipid IVA; major species at pH 7.3.


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


A 1,2-diacyl-sn-glycerol 3-diphosphate(3-) arising from deprotonation of the diphosphate OH groups of 1,2-dioctanoyl-sn-glycerol 3-diphosphate.


A phenolate anion that is the conjugate base of 4-nitrocatechol arising from selective deprotonation of the hydroxy group at the position para to the nitro group; the major species at pH 7.3.


glycochenodeoxycholate

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


docosadienoate

A fatty acid anion with 22 carbons and 2 double bonds. Major species at pH 7.3.


The (E)-isomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate.


The dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol); major microspecies at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#31, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


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


3-ammonio-2-oxopropyl phosphate(1-)

Conjugate base of 3-amino-2-oxopropyl phosphate.


A 2-oxo monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 2-oxooctadecanoic acid (stearic acid). The major species at pH 7.3.


An inositol phosphophytoceramide(1-) having a 2-hydroxyhexacosanoyl group attached to the ceramide nitrogen. Major species at pH 7.3.


Man-1-6-Ins-1-P-Cer B/B' 44:0(1-)

A Man-1-6-Ins-1-P-Cer B/B'(1-) in which the acyl group and the ceramide base contain a total of 44 carbons and 0 double bonds, with either the acyl group hydroxylated at position 2 or the ceramide base hydroxylated at position 4.


Conjugate base of 4-oxoproline.


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of (4S)-4,16-dihydroxyretinoic acid.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 2-oxohept-4-ene-1,7-dioic acid; major species at pH 7.3.


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


An organophosphate oxoanion arising from deprotonation of both free diphosphate OH groups of beta-D-Gal-(1->4)-alpha-D-GlcNAc-diphospho-ditrans,octacis-undecaprenol.


A 2'-deoxyribonucleoside triphosphate oxoanion that is a trianion of 2'-deoxycytidine 5'-triphosphate, arising from deprotonation of three of the four triphosphate OH groups.


11,12-saturated fatty acyl-CoA(4-)

Any fatty acyl-CoA(4-) in which the 11-12 bond of the fatty acyl group is saturated. This is needed for a reaction together with CHEBI:84947


A peptide anion obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group of Gly-Asp; major species at pH 7.3.


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

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


Fully deprotonated form of 5-diphospho-1D-myo-inositol pentakisphosphate.


dodecanoate

A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.


An acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate groups of oscr#31-CoA; major species at pH 7.3.


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

An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any 2',3'-cyclic nucleotide.


D-serinate

The D-enantiomer of serinate.


1D-myo-inositol 4,5-bisphosphate(4-)

An inositol phosphate oxoanion obtained by deprotonation of the phospho groups of 1D-myo-inositol 4,5-bisphosphate; major species at pH 7.3.


The dianion formed by removal of a proton from each of the carboxylic acid groups of cefotetan.


A 14-HDoHE(1-) that is the conjugate base of (14R)-HDoHE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


N,N-dihydroxy-L-phenylalaninate

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


cyclic hexaadenylate(6-)

Cyclic hexaadenylate; major species at pH 7.3.


An aryl sulfate oxoanion that is the conjugate base of 5,7-dimethyl-2-methylamino-4-(3-pyridylmethyl)-1,3-benzothiazol-6-yl hydrogen sulfate, obtained by deprotonation of the sulfo group; major species at pH 7.3.


Major species at pH 7.3


An (R)-3-hydroxyacyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,18Z,21Z,24Z,27Z,30Z,33Z)-3-hydroxyhexatriacontahexaenoyl-CoA; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the free carboxy group of 1-hexadecyl-2-glutaryl-sn-glycero-3-phosphocholine; major species at pH 7.3.


Major microspecies at pH 7.3.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid.


Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.


A 5-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of jasmonic acid. The major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH groups of any 1-(alk-1-enyl)-glycero-3-phosphate. Major species at pH 7.3.


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


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (23Z,26Z,29Z,32Z,35Z)-octatriacontapentaenoyl-CoA; major species at pH 7.3.


trioleoyl 2-monolysocardiolipin(2-)

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


An organic anion that is the conjugate base of 6-linalyl-2-O,3-dimethylflaviolin, obtained by deprotonation of the 7-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


soyasapogenol B 3-O-beta-glucuronate

A monocarboxylic acid anion that results from the removal of a proton from the carboxy group of soyasapogenol B 3-O-beta-glucuronide.


dialkyl phosphate(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of any dialkyl phosphate; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of 5-formyltetrahydrofolic acid.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-amino-3-hydroxy-4-methylbenzoyl-AMP; the major species at pH 7.3.


A 1-alkylglycerone 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1-O-(9Z,12Z,15Z)-octadecatrienylglycerone 3-phosphate; major species at pH 7.3.


cardiolipin 72:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 72 carbons and 3 double bonds.


inositol phosphoceramide(1-)

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


An  peptide anion obtained by deprotonation of the carboxylic acid groups and protonation of the amino group of 11(S),15(S)-dihydroxy-14(R)-(S-glutathionyl)-5(Z),8(Z),12(E)-icosatrienoic acid; major species at pH 7.3.


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


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


A steroid sulfate oxoanion that is the conjugate base of 16alpha-hydroxydehydroepiandrosterone 3-sulfate, arising from deprotonation of the sulfate OH group; major species at pH 7.3.


A phenolate anion obtained by deprotonation of one of the two phenolic hydroxy groups of xanthoaphin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Major species at pH 7.3.


azilsartan medoxomil(1-)

An organic anion obtained by deprotonation of the oxadiazolone ring of azilsartan medoxomil.


An organophosphate oxoanion derived from deprotonation of the phosphate group of any N-acylphosphatidylethanolamine.


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of 2-ethylsuccinic acid.


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


An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of 2-hydroxyglutaryl-CoA. Major structure at pH 7.3 (Marvin 6.2.0)


cardiolipin 76:10(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 76 carbons and 10 double bonds.


The nucleotide-sugar oxoanion which is the dianion formed from dTDP-4-acetamido-4,6-dideoxy-D-galactose by deprotonation of the two phosphate OH groups.


lysophosphatidylserine 18:0(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 18 carbons and 0 double bonds.


A compound comprising a 2-(5-hydroxy-4-oxo-4H-chromen-3-yl)phenyl sulfate core with a 9-1-(1-carboxy-2-oxoethoxy)-2-oxoethanolate substituent; a product of 6-O-{5-hydroxy-4-oxo-3-[2-(sulfooxy)phenyl]-4H-chromen-6-yl}-L-gulonic acid oxidation.


protoaphin aglucone(1-)

A phenolate anion that is the conjugate base of protoaphin aglucone, obtained by deprotonation of the phenolic hydroxy group at position 7'; major species at pH 7.3.


5-hydroxyuridine 5'-monophosphate(2-)

A 5-hydroxyuridine 5'-monophosphate that results from the removal of two protons from the phosphate group; major species at pH 7.3.


Dianion of sn-3-O-(geranylgeranyl)glycerol 1-phosphate arising from deprotonation of the phosphate OH groups.


phosphatidylserine 32:3(1-)

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


A dicarboxylate that contains four carbon atoms.


The organophosphate oxoanion and tricarboxylic acid trianion formed from sarcinapterin by loss of a proton from the phospho group and from each of the three carboxy groups; major microspecies present at pH 7.3.


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


cardiolipin 60:3(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 60 carbons and 3 double bonds.


phosphatidylserine 36:5(1)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 36 carbons in total and 5 double bonds.


A thiazolidinemonocarboxylate formed by proton loss from the carboxy group of amoxicilloyl-butylamine.


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


A 3-hydroxy fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R,19Z,22Z,25Z,28Z)-3-hydroxytetratriacontatetraenoyl-CoA; major species at pH 7.3.


Dianion of UDP-4-deoxy-4-formamido-beta-L-arabinopyranose arising from deprotonation of the diphosphate function.


A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and arachidonoyl respectively.


A ribonucleoside triphosphate oxoanion obtained by deprotonation of the three diphosphate OH groups of N(6)-(dimethylallyl)adenosine 5'-diphosphate.


isoursodeoxycholate

A steroid acid anion that is the conjugate base of isoursodeoxycholic 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-methylnonanoyl-CoA; major species at pH 7.3.


docosapentaenoate

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


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


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


A steroid sulfate oxoanion obtained by deprotonation of at least one of the sulfo groups of 5alpha-androstan-3alpha,17beta-diol disulfate.


Conjugate base of 4-carboxymethylenebut-2-en-4-olide.


prostaglandin H2(1-)

Conjugate base of prostaglandin H2.


A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-ETE.


An acyl-CoA(4-) that is the tetraanion of 1,4-dihydroxy-2-naphthoyl-CoA arising from deprotonation of phosphate and diphosphate functions.


Any trans,trans-2,4-dienoyl-CoA(4-) that is also saturated at position 6.


Major species at pH 7.3.


sch 210972(2-)

A hydroxy monocarboxylic acid anion that is the conjugate base of sch 210972 resulting from the deprotonation of the carboxy and hydroxy groups. Major microspecies at pH 7.3.


(methylthio)acetate

A monocarboxylic acid anion that is the conjugate base of (methylthio)acetic acid.


prostaglandin F1alpha (1-)

Conjugate base of prostaglandin F1alpha.


hydrogenobyrinic acid a,c-diamide(2-)

A precorrin carboxylic acid anion that is the dianionic form of hydrogenobyrinic acid a,c-diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organic sulfamate oxoanion that is the conjugate base of (8-methylnonyl)sulfamic acid. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


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


A 1-phosphatidyl-1D-myo-inositol(1-) that is the conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.


phosphatidylserine O-32:4(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 32 carbons and 4 double bonds.


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


2-hydroxy fatty acid anion 20:0

A hydroxy fatty acid anion 20:0 in which the hydroxy substituent is located at position 2.


sn-3-O-phytanylglycerol 1-phosphate(2-)

Dianion resulting from the reduction of all double bonds of sn-3-O-(geranylgeranyl)glycerol 1-phosphate(2-), in which all stereocenters have (R)-configuration.


pentalenate

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


The organophosphate oxoanion and tetracarboxylic acid anion formed from tatiopterin by loss of a proton from the phospho group and from each of the four carboxy groups; major microspecies present at pH 7.3.


(-)-vernolate

A vernolate that is the conjugate base of (-)-vernolic acid, resulting from the deprotonation of the carboxy group; Major species at pH 7.3.


A peptide anion obtained by deprotonation of the the three carboxy groups and protonation of the amino group of S-(2-carboxy-2-methylbut-3-en-2-yl)-glutathione; major species at pH 7.3.


Dianion of UDP-2-acetamido-2,6-dideoxy-beta-L-arabino-hex-4-ulose arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


An organic anion obtained by deprotonation of the hydroxy group of 2-hydroxy-5-methylquinone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


deoxylimonoate

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


(S)-PGJ2-S-glutathione conjugate(2-)

A prostanoid anion obtained by deprotonation of the three carboxy groups and protonation of the glutamyl alpha-amino group of (S)-PGJ2-S-glutathione conjugate; major species at pH 7.3.


An organic anion which is obtained by removal of a proton from the hydroxy group of sorgoleone. The major form of sorgoleone at pH 7.3.


The monocarboxylic acid anion obtained by removal of a proton from the carboxy groups of (2xi)-D-gluco-heptonic acid.


fatty acid anion 17:0

Any saturated fatty acid anion containing 17 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


A hydroxy fatty acid ascaroside anion resulting from the deprotonation of the carboxy group of oscr#9. The conjugate base of oscr#9 and the major species at pH 7.3.


Major species at pH 7.3


gibberellin A25(2-)

A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A25.


lysophosphatidylserine 24:2(1-)

A lysophosphatidylserine(1-) in which the remaining acyl group (position not specified) contains 24 carbons and 2 double bonds.


A 3-sn-phosphatidyl-L-serine(1-) in which the 2-acyl group is specified as hexadecenoyl (position of double bond unspecified) while the 1-acyl group remains unspecified.


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


A peptide anion that is the conjugate base of gamma-Glu-Gln, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.


Conjugate base of 3,4,5-trimethoxycinnamic acid.


The conjugate base of diclofenac.


An EpETE(1-) that is the conjugate base of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


1-methylurate anion

An organic anion obtained by removal of at least one proton from 1-methyluric acid.


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


all-trans-pentaprenyl diphosphate(3-)

The trianion resulting from the removal of the three protons from the diphosphate group of all-trans-pentaprenyl diphosphate; major species at pH 7.3.


A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of phenazine-1,6-dicarboxylic acid; major species at pH 7.3.


An acyl-CoA oxoanion that is the pentaanion of 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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


cyanoamino acid anion

An amino acid anion modified by the addition of a cyano group.


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


N-hexanoylsphingosine 1-phosphate(2-)

A ceramide 1-phosphate(2-) in which the ceramide N-acyl group is specified as hexanoyl; major species at pH 7.3.


1D-myo-inositol 6-phosphate(2-)

A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1D-myo-inositol 6-phosphate.


A 1-acyl-2-oleoyl-sn-glycero-3-phosphate(2-) in which the 1-acyl substituent is specified as arachidonoyl.


An acyl-CoA(4-) that is the tetraanion of (2S,3S)-3-hydroxy-2-methylbutanoyl-CoA, arising from deprotonation of the phosphate and diphosphate OH groups.


A trimethylbenzoate in which the three methyl substituents are located at positions 2, 4 and 6.


18-hydroxythromboxane A2(1-)

A thromboxane anion that is the conjugate base of 18-hydroxythromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A quadruply-charged nucleotide-sugar oxoanion obtained via deprotonation of the phosphate and diphosphate OH groups of UDP-N-acetyl-alpha-D-glucosamine 3-phosphate; major species at pH 7.3.


A 2-oxo monocarboxylic acid anion resulting from the deprotonation of the carboxy group of a 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid.


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


(S)-camphorsulfonate

The S enantiomer of camphorsulfonate.


DOI: 10.1021/acscatal.1c04321


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


A 2-hydroxy fatty acid anion with a chain that is composed of 24 carbons and 2 double bond (positions unspecified).


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


N-tetracosanoylglycinate

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


A C4-dicarboxylate resulting from the removal of a proton from both carboxylic acid groups of methylmalonic acid.


alpha-D-ribose 5-triphosphate(4-)

An organophosphate oxoanion resulting from the deprotonation of all four phosphate OH groups from alpha-D-ribose 1-triphosphate; it is the major species at pH 7.3.


andrastin B(1-)

An enolate anion resulting from the deprotonation of the enol group of andrastin B. Major species at pH 7.3. Published in Tetrahedron, 2013, 69(38), 8199-8204. http://dx.doi.org/10.1016/j.tet.2013.07.029


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of UDP-N-acetyl-D-mannosamine; major species at pH 7.3.


phenylglyoxylate

A member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid.


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


Pentaanion of trans-3-methylglutaconyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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


An anionic unsymmetrical C5 cyanine dye having substituted indoleinine and benzo[e]indoleinine groups at either end.


Alexa Fluor 480(3-)

The anionic form of a fluorescent dye derived from a 3,6-diaminoxanthenium-4,5-disulphate.


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


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


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


A monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 6-phospho-D-gluconic acid.


N-acetyl-D-hexosamine 1-phosphate(2-)

Dianion of N-acetyl-D-hexosamine 1-phosphate arising from deprotonation of both phosphate OH groups.


An acyl-CoA oxoanion resulting from the removal of all four protons from the phosphate groups of 9alpha-hydroxy-3-oxo-23,24-bisnorchol-4-en-22-oyl-CoA; major species at pH 7.3.


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


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


A 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate where the acrylic double bond has (E)-configuration.


tetralinoleoyl cardiolipin(2-)

A cardiolipin 72:8(2-) obtained by deprotonation of the phosphate OH groups of tetralinoleoyl cardiolipin; major species at pH 7.3.


phosphatidylserine 48:1(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 48 carbons in total and 1 double bond.


6-azauridine 5'-monophosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 6-azauridine 5'-monophosphate. Major species at pH 7.3.


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


Dianion of 3-sulfino-L-alanine arising from deprotonation of carboxy and sulfinate groups.


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


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


adenosine 5'-phosphoramidate(1-)

Conjugate base of adenosine 5'-phosphoramidate; major species at pH 7.3.


The dianion formed by removal of two protons from the phosphate group of 2,5-diamino-6-(1-D-ribosylamino)pyrimidin-4(3H)-one 5'-phosphate.


N-hydroxy-L-isoleucinate

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


N-acylhomoserinate

The carboxylic acid anion formed by loss of a proton from the carboxy group of N-acylhomoserine.


Dianion of 3-(imidazol-4-yl)-2-oxopropyl dihydrogen phosphate arising from deprotonation of both phosphate OH groups; major species at pH 7.3.


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


1-acylglycerone 3-phosphate(2-)

Dianion of a 1-acylglycerone 3-phosphate arising from deprotonation of both OH groups of the phosphate.


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


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


A steroid sulfate oxoanion which is a dianion obtained by the deprotonation of both the sulfate groups of clathsterol disulfonic acid.


methyl phosphate(2-)

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


Conjugate base of (S)-2-hydroxypropyl-CoM.


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


Dianion of 2-(1-hydroxyethyl)thiamine diphosphate arising from deprotonation of the three OH groups of the diphosphate.


N-isovalerylglycinate

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


A monocarboxylic acid anion that is the conjugate base of 5-oxo-4,5-dihydro-2-furylacetic acid.


The (1R,6S)-enantiomer of cis-1,6-dihydroxycyclohexa-2,4-dienecarboxylate.


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


L-dopachromate

Conjugate base of L-dopachrome.


isocaproate

A  branched-chain saturated fatty acid anion that is pentanoate with a methyl group substituent at position 4.


A monocarboxylic acid anion that is the conjugate base of 3-(trimethylsilyl)propionic acid, obtained by deprotonation of the carboxy group.


A hydroxy fatty acid anion that is the conjugate base of (9S,10R)-dihydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


The conjugate base of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid; major species at pH 7.3.


The E-isomer of 5-hydroxyferulate. Major species at pH 7.3.


succinate

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


hydroperoxydocosahexaenoate

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


The organophosphate oxoanion that is the 2R,5Z isomer of 2-carboxylato-4-methyl-5-[(2-phosphonatooxy)ethylidene]-2,5-dihydrothiazole(3-); protonated to pH 7.3.


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,23Z,26Z,29Z,32Z)-3-hydroxyoctatriacontatetraenoyl-CoA; major species at pH 7.3.


A fatty acyl-CoA(4-) that is the tetraanion of (15Z)-12-oxophyto-10,15-dienoyl-CoA, arising from deprotonation of phosphate and diphosphate functions; major species at pH 7.3.


achromobactin

A citrate siderophore possessing four carboxylate groups suitable for iron coordination.


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


A phenolate anion resulting from the deprotonation of the 7-hydroxy group orlandin. It is the major microspecies at pH 7.3.


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


L-sorbose 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of L-sorbose 1-phosphate. Major microspecies at pH 7.3


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

An N-(fatty acyl)-L-alpha-amino acid anion resulting from the formal condensation of the carboxy group of any fatty acid with the amino group of L-serinate. Major species at pH 7.3.


The dolichyl diphosphooligosaccharide(2-) species that is the dianion formed by loss of protons from the diphospho linkage in alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->6)]-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc(PP-Dol); major microspecies at pH 7.3.


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


An N-jasmonyl-L-alpha-amino acid anion obtained by deprotonation of the carboxy group of N-(12-hydroxyjasmonyl)-L-isoleucine; major species at pH 7.3.


cyclic 2,3-bisphospho-D-glycerate(3-)

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


Major structure at pH 7.3. Conjugate base of CHEBI:40113.


lysophosphatidylinositol 14:0(1-)

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


3,3'-biflaviolin 2,2'-diolate

Dianion of 3,3'-biflaviolin arising from selective deprotonation of the OH groups at the 2- and 2'-positions.


A polyunsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA.


A 3-oxo monocarboxylic acid anion that is the conjugate base of 4'-O-demethylsordarin, arising from deprotonation of the carboxy group; major species at pH 7.3.


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


A monounsaturated fatty acyl-CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of (11Z)-hexadec-11-enoyl-CoA; major species at pH 7.3.


remazole black-GR (4-)

The organosulfonate oxoanion that is the tetraanionic form of the azo dye remazole black-GR.


2,4-divinyl protochlorophyllide a(1-)

A cyclic tetrapyrrole anion that is the conjugate base of magnesium protoporphyrin 13-monomethyl ester, formed by deprotonation of the carboxyethyl group at C-17; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


N-carbamoyl-L-methioninate

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


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


A polyunsaturated fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA.


A phosphoglycerate obtained by deprotonation of the carboxy group and one of the phosphate OH groups of 3-phosphoglyceric acid.


cardiolipin 84:19(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 84 carbons and 19 double bonds.


Dianion of N(2)-succinyl-L-citrulline arsing from deprotonation of both carboxylic acid groups.


alpha-mycolate type-3 (IV)

The conjugate base of alpha-mycolic acid type-3 (IV). A class of mycolic acids characterized by the presence of a proximal cis-cyclopropyl group and a distal cis C=C double bond in the meromycolic chain.


gamma-aminobutyrate

An gamma-amino acid anion resulting from the deprotonation of the carboxy group of gamma-aminobutyric acid.


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


hydroperoxy(epoxy)icosatrienoate

A hydroperoxyicosatrienoate having a hydroperoxy substituent on its carbon chain and an epoxidation across one of the double bonds of arachidonate.


N(alpha)-acetyl-L-argininate

An N-acyl-L-alpha-amino acid anion arising from deprotonation of the carboxy group of N(alpha)-acetyl-L-arginine; major species at pH 7.3.


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


A prostaglandin carboxylic acid anion that is the conjugate base of 15-deoxy-Delta(12,14)-prostaglandin J3. obtained by deprotonation of the carboxy group; major species at pH 7.3.


2-hydroxy fatty acid anion 24:1

A 2-hydroxy fatty acid anion with a chain that is composed of 24 carbons and 1 double bond (position  unspecified).


alkyl sulfate(1-)

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any alkyl sulfate; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 4-(beta-D-ribofuranosyl)aminobenzene 5'-phosphate.


A monocarboxylic acid anion that is the conjugate base of N-[(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-icosatetraenoyl]glycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.


dibutyldithiocarbamate

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


A peptide anion obtained by protonation of the amino group and deprotonation of the two carboxy groups of Ala-Asp.


D-erythrulose 4-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-erythrulose 4-phosphate. Major structure at pH 7.3.


An N-acyl-L-alpha-amino acid anion that is the anion formed by loss of a proton from the carboxy group of N-carbamoyl-L-cysteine; major species present at pH 7.3.


A D-fructofuranose 1,6-bisphosphate(4-) that is the conjugate base of beta-D-fructofuranose 1,6-bisphosphate.


pyrazolide

An organic anion with formula C3H3N2 resulting from the removal of a proton from 1H, 3H, or 4H-pyrazole.


The oxoanion obtained by selective deprotonation of the 7-hydroxy group of kievitone; major species at pH 7.3.


(3Z)-9-methyldec-3-en-1-yl sulfate

An organosulfate oxoanion that is the conjugate base of (3Z)-9-methyldec-3-en-1-yl hydrogen sulfate. It has been isolated from Daphnia pulex and has been shown to cause morphological changes in the green alga Scenedesmus gutwinskii.


sch 210971(2-)

Based on the structure elucidated in pmid:26360642 for sch 210972 as it is synthesized from the same precursor as described in pmid:25885659


A 2-acyl-sn-glycero-3-phosphate(2-) in which the acyl group is hexadecenoyl (position of double bond not specified).


The arenesulfonate oxoanion that is benzenesulfonate anion with two nitro substituents in the 2- and 4-positions.


all-trans-polyprenyl diphosphate(3-)

Trianion of all-trans-polyprenyl diphosphate arising from deprotonation of the three OH groups of the diphosphate.


dihexadecanoyl phosphatidate(2-)

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


A 2-hydroxy-3-methylpentanoate in which the stereocentres at positions 2 and 3 both have R-configuration.


A benzoate obtained by deprotonation of the carboxy and phenol groups of erythrosin.


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


D-glyceraldehyde 3-phosphate(2-)

Dianion of D-glyceraldehyde 3-phosphate arising from deprotonation of both OH groups of the phosphate.


Ins-1-P-Cer-A 38:0(1-)

An Ins-1-P-Cer A(1-) in which the acyl group and the ceramide base contain a total of 38 carbons and 0 double bonds. Major species at pH 7.3.


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


Dicarboxylate anion of (2R,3Z)-phycocyanobilin.


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


name: O13(4)-desmethyl primary fluorescent dioxobilin-type chlorophyll catabolite(2-)


sn-glycerol 1-phosphate(2-)

A glycerol 1-phosphate(2-) that is the dianion of sn-glycerol 1-phosphate arising from deprotonation of both phosphate OH groups.


phosphatidylserine O-28:0(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 28 carbons and 0 double bonds.


A D-alpha-amino acid anion resulting from the removal of the proton from the carboxy group of N-acetyl-D-methionine.


Major microspecies at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate group of any oligosaccharide-(1->4)-N-acetyl-beta-D-glucosamine-(1->4)-N-acetyl-alpha-D-glucosamine 1-phosphate; major species at pH 7.3.


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#25, obtained by deprotonation of the carboxy group; major species at pH 7.3.


phosphatidylserine 44:3(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 44 carbons in total and 3 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->8)-alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of (S)-2-(4-chloro-2-methylphenoxy)propanoic acid, obtained by deprotonation of the carboxy group.


The tetra-anion obtained by removal of all of the protons from the phosphate groups of D-glycero-beta-D-manno-heptose 1,7-bisphosphate.


name: 3-[(10R)-10,11-epoxy]farnesyl-2,3,5-trimethyl-6-oxido-4-oxocyclohexa-1,5-diene-1-carboxylic acid methyl ester

description: Major species at pH 7.3. Published in http://dx.doi.org/10.1016/j.tet.2013.07.029


Compound 8a


Conjugate base of N-acetyl-LL-2,6-diaminopimelic acid.


A beta-amino acid anion that is the conjugate base of 3-aminoisobutyric acid, arising from deprotonation of the carboxy group.


A monocarboxylic acid anion that is the  conjugate base of 4-guanidinobutanoic acid.


The conjugate base of sulfolipid-1 arising from deprotonation of the sulfate OH group.


A UDP-N-acetyl-D-galactosamine 4,6-bissulfate(4-) in which the anomeric centre of the galactosamine fragment has alpha-configuration


An acyl-CoA oxoanion that results from the removal of all five protons from the phosphate and carboxylic acid groups of (3S)-3-hydroxy-3-methylglutaryl-CoA.


An organic phosphoramidate anion obtained by deprotonation of the two phosphoramide OH groups of fosaprepitant.


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


An omega-hydroxy fatty acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 16-hydroxyhexadecanoyl-CoA; major species at pH 7.3.


An inositol phosphate oxoanion that is the conjugate base of 1-amino-1-deoxy-scyllo-inositol 4-phosphate, arising from deprotonation of the phosphate OH groups and protonation of the amino group; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 10,11-dihydro-20,20-dihydroxyleukotriene B4, obtained by deprotonation of the carboxy group; major species at pH 7.3.


sialic acid anion

A carboxylic acid anion that is the conjugate base of a sialic acid, formed by deprotonation of the carboxy group.


crotonate

The conjugate base of crotonic acid; used by some bacterial species as a carbon and energy source.


aryl sulfate oxoanion

An organosulfate oxoanion obtained by deprotonation of the sulfo group of any aryl sulfate. The R group in this structure represents an aromatic ring.


tauro-beta-muricholate

A cholanic acid conjugate anion that is the conjugate base of tauro-beta-muricholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.


Trianion of 5,10-methylenetetrahydromethanopterin arising from deprotonation of phosphate and carboxy groups; major species at pH 7.3.


chromoxane cyanin R(3-)

An organosulfonate oxoanion obtained by deprotonation of the sulfo and carboxy groups of 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)(2-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid.


A precorrin carboxylic acid anion that is the hexaanion of precorrin-7.


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

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


Trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; major species at pH 7.3.


A C79 alpha-mycolate  having a saturated C26 alpha-branch and a C53 meromycolic chain with a distal cis-double bond and a proximal cis-cyclopropyl function. It is produced by Mycobacterium tuberculosis H37Ra.


L-polyhomomethionine zwitterion

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


Conjugate base of 8(R)-HPETE arising from deprotonation of the carboxylic acid function.


Conjugate base of D-dopachrome.


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


A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of phosphate and diphosphate functions of (2E)-pentenoyl-CoA; major species at pH 7.3.


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


isopentadecanoate

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


organic sulfamate oxoanion

An anion resulting from the removal of a proton from an organic sulfamic acid group.


halistanol sulfate G(3-)

A steroid sulfate oxoanion that is the conjugate base of halistanol sulfonic acid G.


The conjugate base of fenoprofen.


A pyrimidine 2'-deoxyribonucleoside 5'-phosphate(2-) obtained by deprotonation of the phosphate OH groups of pyrimidine 2'-deoxyribonucleoside 5'-phosphate; major microspecies at pH 7.3.


etherolenate

A long-chain fatty acid anion that is the conjugate base of etherolenic acid resulting from the deprotonation of the carboxy group; Major microspecies at pH 7.3.


A dicarboxylic acid dianion resulting from the deprotonation of the two carboxy groups of 2,2-dimethylsuccinic acid; major species at pH 7.3.


biliverdin beta(2-)

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


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy group of N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosylceramide; major species at pH 7.3.


Conjugate base of 13(S)-HPODE arising from deprotonation of the carboxylic acid function.


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


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


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


L-kynureninate

A L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of L-kynurenine .


A dicarboxylic acid dianion that is the conjugate base of 2-aminoadipic acid.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 4-methyl-2-oxopentanoic acid.


4-nitrophenyl sulfate

An aryl sulfate oxoanion resulting from the deprotonation of the sulfooxy group of 4-nitrophenyl hydrogen sulfate. The major microspecies at pH 7.3.


N,N',N''-triacetylchitotrionate

Spontaneous hydrolysis product of CHEBI:143144


rifamycin B(2-)

A hydroxy monocarboxylic acid anion arising from deprotonation of the carboxy and 5-carboxy groups of rifamycin B; major species at pH 7.3.


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


uroporphyrinogen III(8-)

An octacarboxylic acid anion obtained by deprotonation of all eight carboxy groups of uroporphyrinogen III.


dihomolinoleate

An octadecadienoate that is the conjugate base of dihomolinoleic acid.


Conjugate base of (1S,4S)-4-hydroxy-3-oxocyclohexane-1-carboxylic acid.


Conjugate base of cis-5,6-dihydroxy-4-isopropylcyclohexa-1,3-dienecarboxylic acid.


A dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of 2-(E)-O-feruloyl-D-galactaric acid.


Any very long-chain 2,3-trans-enoyl CoA(4-) in which the fatty acyl group has a chain length greater than C27.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-hydroxyphenylpyruvic acid resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


An anionic ganglioside obtained by deprotonation of the neuraminosyl carboxy groups of ganglioside GD1b(d18:1/C18:0); major species at pH 7.3.


N,N-dihydroxy-L-trihomomethioninate

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


Major microspecies at pH 7.3.


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


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


m-toluate

A toluate that is the conjugate base of m-toluic acid.


An organophosphate oxoanion obtained by removal of the proton from the phosphate group of L-seryl-AMP.


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


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


name: archaeal dolichyl alpha-D-glucosyl phosphate(1-)

description: An organophosphate oxoanion that is the conjugate base of archaeal dolichyl alpha-D-glucosyl phosphate arising from deprotonation of the phosphate OH group; major species at pH 7.3. Dolichol used by archaea is is generally much shorter (C55-C60) than that used by eukaryotes and may have additional saturation positions in the chain.


Major species at pH 7.3


A polyunsaturated fatty acid anion that is the conjugate base of 17,18-EETeTr, obtained by deprotonation of the carboxy group; major species at pH 7.3.


Major species at pH 7.3.


methoxide

An organic anion that is the conjugate base of methanol.


A pyridinedicarboxylate that is the major structure of 5-hydroxy-6-methylpyridine-3,4-dicarboxylic acid at pH 7.3.


methoxymycolate type-1 (VI)

The conjugate base of methoxymycolic acid type-1 (VI). A class of mycolic acids characterized by the presence of a proximal cis-cyclopropyl group and a distal (CH-CH3)-(CHO-CH3) fragment of (S,S) stereochemistry in the meromycolic chain.


A retinoid glucuronide anion that is the conjugate base of 1-O-all-trans-retinoyl-beta-D-glucuronide arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


A 1-acyl-sn-glycero-3-phospho-1D-myo-inositol(1-) in which the acyl group is specified as hexadecanoyl (palmitoyl); major species at pH 7.3.


An oxo dicarboxylate obtained by removal of a proton from both of the carboxylic acid groups of (Z)-5-oxohex-2-enedioic acid.


D-lyxonate

A lyxonate that is the conjugate base of D-lyxonic acid, obtained by the deprotonation of the carboxy group.


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


A phenolate anion that is the conjugate base of 6-methylpretetramide, obtained by deprotonation of the 1-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


Tetraanion of (24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA arising from deprotonation of phosphate and diphosphate OH groups.


quinolinate

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


An omega-hydroxy fatty acid anion that is the conjugate base of 18-hydroxy-9,10-epoxyoctadecanoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3.


L-xylulose 5-phosphate(2-)

An organophosphate oxoanion that is the dianion of L-xylulose 5-phosphate arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


phosphatidylserine 43:6(1-)

A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 43 carbons with 6 double bonds.


montbretin A(1-)

A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavonoid moiety of montbretin A. The major species at pH 7.3.


Dianion of D-erythro-3-methylmalic acid.


N-acetyl-L-alpha-phenylglycinate

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


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


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


A hydroxy fatty acid ascaroside anion that is the conjugate base of oscr#36, obtained by deprotonation of the carboxy group; major species at pH 7.3.


2-hydroxypropyl phosphate(2-)

An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-hydroxypropyl dihydrogen phosphate; major species at pH 7.3.


Tetraanion of 3-hydroxyphenylacetyl-CoA arising from deprotonation of phosphate and diphosphate functions; major microspecies at pH 7.3


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


isonocardicin A(2-)

An oxime anion that is the major structure of isonocardicin A at pH 7.3.


phosphatidylserine O-34:6(1-)

An alkyl,acyl-sn-glycero-3-phospho-L-serine(1-) in which the alkyl or acyl groups at positions 1 and 2 contain a total of 34 carbons and 6 double bonds.


An organophosphate oxoanion obtained by deprotonation of the phosphate and phosphonate OH groups of guanosine 5'-[beta,gamma-methylene]triphosphate.


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


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.


Renilla luciferyl sulfate(1-)

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


octadecatetraenoate

A fatty acid anion containing 18 carbons and four double bonds. Formed by deprotonation of the carboxylic acid group. Major species at pH 7.3.


hydrogen ((13)C)carbonate

A carbon oxoanion that is hydrogencarbonate in which the carbon is present as its (13)C isotope.


A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid.


4-nitrophenyl methylphosphonate

A C-nitro compound that is a phosphonate transition state analogue with affinity for catalytic antibody (esterase) CNJ206.


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


phosphate monoester dianion

Any organphosphate oxoanion resulting from the removal of both protons from the phosphate group of a phosphate monoester. The major species at pH 7.3.


A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-EDE.


An organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of pppGp(2'->5')A; 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,23Z,26Z,29Z,32Z,35Z)-3-hydroxyoctatriacontapentaenoyl-CoA; major species at pH 7.3.


N-hydroxy-L-phenylalaninate

Conjugate base of N-hydroxy-L-phenylalanine.


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


7-demethylmitomycin B(1-)

An organic anion obtained by removal of the acidic proton from position 8 of 7-demethylmitomycin B.


The dianion resulting from the removal of two protons from the diphosphate group of N-acetyl-D-glucosaminyl-1-diphospho-ditrans,polycis-undecaprenol.


hypusinate

A L-alpha-amino acid anion obtained by the deprotonation of the carboxy group of hypusine.


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


A peptide anion that is the conjugate base of gamma-Glu-Gly, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.


phosphatidylserine 44:12(1-)

A 3-sn-phosphatidyl-L-serine(1-) in which the acyl groups at C-1 and C-2 contain 44 carbons in total and 12 double bonds.


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


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


An acyl-CoA oxoanion arising from deprotonation of phosphate, diphosphate and carboxylic acid functions of 3-(4-methylpent-3-en-1-yl)pent-2-enedioyl-CoA.


The conjugate base of (R)-3-(5-benzyloxyindol-3-yl)lactic acid.


A glycerophosphoglycerol(1-) having (R,S)-configuration.


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid


Dicarboxylate anion of trans-2,3-epoxysuccinic acid.


cardiolipin 80:14(2-)

A cardiolipin(2-) derivative in which the four phosphatidyl acyl groups contain a total of 80 carbons and 14 double bonds.


An acyl-CoA oxoanion arising from deprotonation of phosphate and diphosphate functions as well as protonation of the amino function of L-3-aminobutanoyl-CoA.


An alpha-D-Glc-(1->3)-alpha-D-Glc-(1->3)-alpha-D-Man-(1->2)-alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->3)-[alpha-D-Man-(1->2)-alpha-D-Man-(1->6)]-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 carbohydrate acid anion that is the conjugate base of D-galactaro-1,5-lactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


chlorophyll b(1-)

The cyclic tetrapyrrole anion that is chlorophyll b protonated to pH 7.3.


Dianion of GDP-4-dehydro-6-deoxy-alpha-D-mannose arising from deprotonation of the phosphate OH groups; major species at pH 7.3.


fatty acid anion 28:0

Any saturated fatty acid anion containing 28 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


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


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


A (10E,12Z,15Z)-9-hydroperoxyoctadeca-10,12,15-trienoate that has R configuration at the chiral centre.


Dicarboxylate anion of 2-dehydro-3-deoxy-D-glucaric acid; major species at pH 7.3.


Dianion of alpha-D-galactosyl undecaprenyl diphosphate arising from deprotonation of both free diphosphate OH groups.


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


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