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


Dianion of 5-amino-6-(5-phosphoribitylamino)uracil arising from deprotonation of both phosphate OH groups.


chondroitin 4'-sulfate anion

The organosulfate oxoanion that is the conjugate base of chondroitin 4'-sulfate.


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


Hexaanion of 1-(5-phospho-D-ribosyl)-ATP.


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


Dianion of N(2)-formyl-N(1)-(5-phospho-D-ribosyl)glycinamide.


Dianion of N-acetyl-D-glucosaminyldiphosphodolichol.


alpha,alpha-trehalose 6-phosphate(2-)

Dianion of alpha,alpha-trehalose 6-phosphate.


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


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.


histaminium

An ammonium ion that is the conjugate acid of histamine protonated on the side-chain nitrogen.


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

An organophosphate oxoanion that is the dianion of 1D-myo-inositol 1-phosphate.


An aldehydic acid anion resulting from the deprotonation of the carboxy group of (2Z,4E)-4-hydroxymuconic semialdehyde.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of 1-(5-phospho-beta-D-ribosyl)-5-[(5-phospho-beta-D-ribosylamino)methylideneamino]imidazole-4-carboxamide.


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


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


thiaminium carboxylate betaine

An ammonium betaine that is the conjugate base of thiamine(1+) carboxylic acid arising from the deprotonation of the carboxy group.


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


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


L-2-aminopentanoic acid zwitterion

An L-alpha-amino acid zwitterion obtained from L-2-aminopentanoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.


pyrroloquinoline quinone(3-)

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


An organophosphate oxoanion that is the tetraanionic form of SAICAR. It is the major species at pH 7.3.


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


Conjugate acid of 13-hydroxylupanine.


The 7-oxoanion of isovitexin.


L-thyroxine zwitterion

Zwitterionic form of L-thyroxine.


adenosine 5'-tetraphosphate(5-)

An organophosphate oxoanion that is the pentaanionic form of adenosine 5'-tetraphosphate.


pyridoxamine 5'-phosphate(1-)

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


Conjugate base of 4-(phosphonooxy)-L-threonine.


The dianion resulting from the removal of two protons from the phosphate group of 5-amino-6-(5-phospho-D-ribosylamino)uracil.


kynurenate

A quinolinemonocarboxylate that is the conjugate base of kynurenic acid


L-2-aminohexanoic acid zwitterion

An L-alpha-amino acid zwitterion obtained from L-2-aminohexanoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.


The pentaanion of a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate.


Conjugate base of N(1)-(5-phospho-D-ribosyl)glycinamide.


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


pyrroloquinoline quinol(3-)

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


Conjugate acid of 13-(2-methylcrotonoyloxy)lupanine.


A vinca alkaloid cation that is the conjugate acid of 17-O-deacetylvindoline.


Tetraanion of 7,8-dihydroneopterin 3'-triphosphate.


Conjugate acid of (7S)-salutaridinol.


nucleoside 3',5'-cyclic phosphate anion

The conjugate base of a nucleoside 3',5'-cyclic phosphate.


Dianion of 2,3,2',3'-tetrakis(3-hydroxytetradecanoyl)-alpha-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate.


Dianion of 5-formamido-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide.


3-aminoalanine zwitterion

An amino acid zwitterion of 3-aminoalanine where the 3-amino group is protonated.


1D-myo-inositol 4-phosphate(2-)

Dianion of 1D-myo-inositol 4-phosphate.


The 7-oxoanion of apigenin.


bis(beta-glucosyluronate)bilirubin

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


Conjugate base of beta-D-mannosyldiacetylchitobiosyldiphosphodolichol.


Conjugate acid of codeinone.


Conjugate base of 2-hydroxy-1,4-benzoquinone


An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxamide. It is the major species at pH 7.3.


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


N(omega)-phosphonato-L-arginine

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


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


N-formimidoylglycine zwitterion

Zwitterion form of N-formimidoylglycine.


N-[(R)-pantothenoyl]-L-cysteinate

Conjugate base of N-[(R)-pantothenoyl]-L-cysteine.


(RS)-coclaurinium

Conjugate acid of (RS)-coclaurine.


(RS)-norcoclaurinium

conjugate acid of (RS)-norcoclaurine


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


Anion of 1D-myo-inositol 1,2-cyclic phosphate.


An indole alkaloid cation that is the conjugate acid of 3-hydroxy-16-methoxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino function; major species at pH 7.3.


Conjugate base of 2'-deoxymugineic acid.


A doubly-charged tricarboxylic acid anion arising from deprotonation of the carboxy groups and protonation of the amino group of 3-epi-3-hydroxymugineic acid.


Zwitterionic form of 5-guanidino-2-oxopentanoic acid.


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


Conjugate acid of L-prolinamide.


N-acetyl-D-amino acid anion

The conjugate base of an N-acetyl-D-amino acid.


Conjugate base of an N-acyl-L-aspartic acid.


Zwitterionic form of 6-acetamido-3-aminohexanoic acid.


L-pyrrolysine zwitterion

Zwitterionic form of L-pyrrolysine.


A member of the class of phenylureas that is N-(2-methoxyphenyl)urea in which one of the two protons on the free NH2 function has been replaced by a 2-naphthyl group.


7,8-diaminononanoate cation

Conjugate acid of 7,8-diaminononanoic acid.


Zwitterionic form of 7beta-aminocephalosporanic acid.


adenosylcobinamide phosphate(1-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of adenosylcobinamide phosphate.


adenosylcob(III)yrinate a,c-diamide(4-)

Conjugate base of adenosylcob(III)yrinic acid a,c-diamide.


Dianionic form of mugineic acid.


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


Conjugate base of 1-pyrroline-3-hydroxy-5-carboxylic acid.


A nucleotide-sugar oxoanion that is the conjugate base of UDP-3-O-(3-hydroxytetradecanoyl)-D-glucosamine, having an  anionic diphosphate function and a protonated primary amino group.


Dianion of D-erythro-3-methylmalic acid.


Octacarboxylate anion of precorrin-6X.


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


ectoine zwitterion

A zwitterion obtained by transfer of a proton from the carboxy group to the nitrogen alpha to the carboxy group. The major species at pH 7.3.


alpha-D-glucosamine 1-phosphate(1-)

Conjugate base of alpha-D-glucosamine 1-phosphate.


Conjugate base of 3,4-dehydrothiomorpholine-3-carboxylic acid.


Octacarboxylate anion of precorrin-5.


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


ibogaine

An organic heteropentacyclic compound that is ibogamine in which the indole hydrogen para to the indole nitrogen has been replaced by a methoxy group.


Conjugate base of N-succinyl-L-glutamic 5-semialdehyde.


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


Heptacarboxylate anion of precorrin-3B.


Zwitterionic form of (5S)-5-amino-3-oxohexanoic acid.


gibberellin A1(1-)

Conjugate base of gibberellin A1.


An organophosphate oxoanion that is the tetraanionic form of 5-[(5-phospho-1-deoxy-D-ribulos-1-ylimino)methylamino]-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamide.


gibberellin A20(1-)

Conjugate base of gibberellin A20.


D-ribosylnicotinate

Conjugate base of D-ribosylnicotinic acid.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate groups of 3-hydroxypropanoyl-CoA.


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


ibogamine

A monoterpenoid indole alkaloid with formula C19H24N2. It is isolated from the flowering plant genus, Tabernaemontana and exhibits anti-addictive properties.


gentamycin C1a(5+)

Pentacation of gentamycin C1a.


Hexaanion of precorrin-6Y.


Dianion of S-methyl-5-thio-alpha-D-ribose 1-phosphate.


Dianionic form of a 6-phospho-beta-D-galactoside.


The dication of N(8)-acetylspermidine.


hydrogenobyrinic acid a,c-diamide(4-)

Tetraanion of hydrogenobyrinic acid a,c-diamide


cob(II)yrinic acid a,c diamide(4-)

A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cob(II)yrinic acid a,c diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


L-dehydroascorbate

An organic anion and the conjugate base of L-dehydroascorbic acid, arising from deprotonation of the acidic C2-position.


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

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


Conjugate base of 5-methyldeoxycytidine 5'-(trihydrogen diphosphate).


D-arabino-hex-3-ulose 6-phosphate(2-)

Dianion of D-arabino-hex-3-ulose 6-phosphate.


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


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


cyanidin 3-O-rutinoside betaine

An oxonium betaine that is the conjugate base of cyanidin 3-O-rutinoside, arising from selective deprotonation of the 5-hydroxy group on the chromene ring; major species at pH 7.3.


N-hydroxy-L-tyrosinate

Conjugate base of N-hydroxy-L-tyrosine.


Dianion of S-methyl-5-thio-D-ribulose 1-phosphate.


kanamycin B(5+)

An organic cation that is the pentacation of kanamycin B, obtained by protonation of the primary amino groups.


ibuprofen

A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group.


Dication of N(1),N(12)-diacetylspermine.


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


N(2')-acetylgentamycin C1a(4+)

Tetracation of N(2')-acetylgentamycin C1a.


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


gibberellin A44(1-)

Conjugate base of gibberellin A44.


Dianion of S-acetylphosphopantotheine.


Conjugate base of (S)-2-amino-6-oxopimelic acid.


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

An organophosphate oxoanion resulting from the removal of both protons from the phosphate group of N-acetyl-D-mannosamine 6-phosphate.


N-benzyloxycarbonyl-L-leucinate

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


Trianion of UDP-N-acetylmuramoyl-L-alanyl-D-alpha-glutamyl-L-lysine.


L-alpha-glutamyl phosphate(2-)

Dianion of L-alpha-glutamyl phosphate.


Heptaanion of precorrin-3A.


An icosapentaenoate that is the conjugate base of all-cis-5,8,11,14,17-icosapentaenoic acid, arising from deprotonation of the carboxylic acid group.


Trianion of 5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylic acid.


A monocarboxylic acid anion resulting from the removal of the proton from the carboxy group of 5-hydroxyimidazole-4-acetic acid.


D-arabinitol 1-phosphate(2-)

Dianion of D-arabinitol 1-phosphate.


ajmalinium

Conjugate acid of ajmaline.


D-tyrosine zwitterion

A D-alpha-amino acid zwitterion that is D-tyrosine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.


Conjugate base of 5-methylbarbituric acid.


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


kaempferol oxoanion

The 3-oxoanion of kaempferol.


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


cob(I)yrinate a,c diamide(5-)

A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cob(I)yrinate a,c diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


2-deoxy-D-ribofuranose 1-phosphate(2-)

Dianion of 2-deoxy-D-ribofuranose 1-phosphate.


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

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


A nucleotide-sugar oxoanion obtained by deprotonation of the carboxy and diphosphate OH groups of UDP-N-acetyl-D-mannosaminouronic acid.


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


icaceine

A diterpene alkaloid that is 6,18:14,16-diepoxypimar-7-en-18-one substituted by a hydroxy group at position 3 and a dimethyl amino group at position 15. It is isolated from Icacina guessfeldtii.


Polycarboxylate anion of tetrahydrofolyl-poly(glutamic acid).


Heptaanion of precorrin-8X.


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


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


20-hydroxy-leukotriene E4(1-)

Conjugate base of 20-hydroxy-leukotriene E4.


L-allothreonine zwitterion

Zwitterionic form of L-allothreonine.


Conjugate base of 4-hydroxyphenylglyoxylic acid.


gibberellin A19(2-)

Dicarboxylate anion of gibberellin A19.


flavonol oxoanion

The conjugate base of a flavonol compound.


pyridoxine 5'-phosphate(2-)

Dianion of pyridoxine 5'-phosphate.


gibberellin A3(1-)

A gibberellin carboxylic acid anion obtained by deprotonation of the carboxy group of gibberellin A3.


3-disulfanyl-L-alanine zwitterion

Zwitterionic form of 3-disulfanyl-L-alanine.


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


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


gibberellin A8(1-)

Conjugate base of gibberellin A8.


felodipine

The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.


A 2'-deoxyribonucleoside 5'-diphosphate obtained by deprotonation of the diphosphate OH groups of dGDP.


coenzyme B(3-)

Trianion of coenzyme B.


Dianion of N'-phosphoguanidinoethyl methyl phosphate.


N(tele)-methylhistaminium

Conjugate acid of N(tele)-methylhistamine.


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

An organophosphate oxoanion that is the dianion of alpha-D-glucose 1-phosphate, obtained by deprotonation of the phosphate OH groups.


D-mannosyl undecaprenyl phosphate(1-)

Conjugate base of D-mannosyl undecaprenyl phosphate.


lipid IVA(4-)

Tetraanion of lipid IVA.


Conjugate base of L-mimosine.


Dication of 3''-adenylylstreptomycin.


synephrinium

Conjugate acid of synephrine.


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.


1,2-diacyl-sn-glycerol 3-phosphate(2-)

The conjugate base of a 1,2-diacyl-sn-glycerol 3-phosphate compound.


Conjugate acid of D-2-aminohexano-6-lactam.


nocardicin E(1-)

Conjugate base of nocardicin E.


Conjugate acid of (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol


Conjugate acid of (+-)-5-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydronaphthalen-1(2H)-one.


An organophosphate oxoanion resulting from the removal of a total of three protons from the phosphate and carboxy groups of 1-(2-carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate.


Dianion of 2,5-diamino-4-hydroxy-6-(5-phosphoribosylamino)pyrimidine.


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


hydrogenselenophosphate

Dianionic form of selenophosphoric acid.


S-alkyl thiosulfate anion

Conjugate base of an S-alkyl thiosulfate compound.


idazoxan

A benzodioxine that is 2,3-dihydro-1,4-benzodioxine in which one of the hydrogens at position 2 has been replaced by a 4,5-dihydro-1H-imidazol-2-yl group.


dehydroabietate

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


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of 5alpha,9beta,10alpha-labda-8(20),13-dien-15-yl diphosphate.


gibberellin A12(2-)

A dicarboxylic acid anion obtained by deprotonation of both carboxy groups of gibberellin A12.


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


N-formyl-L-kynurenine zwitterion

Zwitterionic form of N-formyl-L-kynurenine.


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


Zwitterionic form of N(alpha)-gamma-L-glutamylhistamine.


2,4-divinyl protochlorophyllide a(2-)

Dianion of 2,4-divinyl protochlorophyllide a.


L-homoserine lactone(1+)

An ammonium ion resulting from the protonation of the amino group of L-homoserine lactone. The major species at pH 7.3.


Trianion of 5alpha,9alpha,10beta-labda-8(20),13-dien-15-yl diphosphate.


An organic anion that is the 7-oxoanion of 2-hydroxy-2,3-dihydrogenistein.


A dicarboxylic acid dianion arising from deprotonation of both carboxy groups of 2-hydroxy-6-oxonona-2,4,7-trienedioic acid.


Conjugate base of 4'''-demalonylsalvianin.


Conjugate base of 5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylic acid.


ifosfamide

The simplest member of the class of  ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitrogen mustard alkylating agent used in the treatment of advanced breast cancer.


name: pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside betaine

description: Conjugate base of pelargonidin 3-O-(6-O-caffeoyl-beta-D-glucoside) 5-O-beta-D-glucoside.


N,N-dimethylethanolamine phosphate(1-)

Conjugate base of N,N-dimethylethanolamine phosphate.


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


A guanidinium ion obtained by protonation of the imino nitrogen of N-(4-guanidinobutyl)-4-hydroxycinnamamide.


D-allothreonine zwitterion

A D-alpha-amino acid zwitterion that is D-allothreonine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.


amidinoproclavaminic acid zwitterion

Zwitterionic form of amidinoproclavaminic acid.


Dianion of N(omega)-phosphohypotaurocyamine.


(S)-3-aminoisobutyric acid zwitterion

An amino acid zwitterion obtained by transder of a proton from the carboxy to the amino group of (S)-3-aminoisobutyric acid; major species at pH 7.3.


alpha-D-galacturonate

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


A monocarboxylic acid anion resulting from the deprotonation of the carboxy group of 8(R)-HPODE. The major species at pH 7.3.


Dianion of CDP-D-glucose.


trypanothione disulfide(1+)

Conjugate acid of trypanothione disulfide.


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


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


Pentaanion of (3S)-citramalyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions.


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


Conjugate base of 4-oxoproline.


An L-amino acid anion, being the conjugate base of L-3-oxoalanine.


Conjugate base of L-2-aminoadipic acid.


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

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


D-fructofuranose 1-phosphate(2-)

An organophosphate oxoanion that is the dianion of D-fructofuranose 1-phosphate.


Dianion of O-phospho-L-threonine.


An acyl-CoA(4-) that is the tetraanion of (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA arising from deprotonation of the phosphate and diphosphate OH groups.


A tricarboxylic acid trianion that is the tricarboxylate anion of luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid; major species at pH 7.3.


Conjugate acid of 17-O-acetylajmaline.


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


Conjugate base of 5-phospho-beta-D-ribosylamine.


An organic cation that is the conjugate acid of 6-hydroxypseudooxynicotine, obtained by protonation of the secondary amino group; major species at pH 7.3.


An organosulfonate oxoanion arising from deprotonation of the sulfo and carboxy groups of 3-sulfolactic acid.


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


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


pheophorbide a(2-)

Dianion of pheophorbide a.


Dicarboxylate anion of (1R,6R)-2-succinyl-6-hydroxycyclohexa-2,4-diene-1-carboxylic acid.


A monocarboxylic acid anion obtained by removal of a proton from the carboxy group of 1,6-anhydro-N-acetyl-beta-muramic acid.


Conjugate base of (4R,5S,6R)-2,4,5,6-tetrahydroxycyclohex-2-en-1-one.


Dicarboxylate anion of (R)-2-benzylsuccinic acid.


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


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

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


D-tagatofuranose 6-phosphate(2-)

An organophosphate oxoanion that is the dianion of D-tagatofuranose 6-phosphate.


Conjugate base of flaviolin.


Conjugate acid of (2R,4S)-2,4-diaminopentanoic acid.


The trianion of molybdopterin obtained by deprotonation of the phosphate and 7-SH groups; major species at pH 7.3.


L-methioninium (S)-S-oxide residue

L-methionine (S)-S-oxide residue protonated on nitrogen.


Conjugate acid of 6-(alpha-D-glucosaminyl)-1D-myo-inositol.


phosphonatoenolpyruvate

An organophosphate oxoanion obtained by deprotonation of the carboxy and phosphate groups of phosphoenolpyruvic acid.


Conjugate acid of 7-aminomethyl-7-deazaguanine.


Tetracation of 3,3,3-tetramine.


N-acetyl-beta-neuraminate

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


L-methioninium (R)-S-oxide residue

L-methionine (R)-S-oxide residue protonated on nitrogen.


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.


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


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


Zwitterionic form of 4-amino-4-deoxy-alpha-L-arabinopyranosyl undecaprenyl phosphate.


lipid A(4-)

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


7-chloro-L-tryptophan zwitterion

Zwitterionic form of 7-chloro-L-tryptophan.


beta-L-Ara4N-lipid A(2-)

Dianion of beta-L-Ara4N-lipid A arising from deprotonation of both phosphate functions and protonation of the amino group  (R can be either hydrogen or a fatty acyl group).


calcitroate

Conjugate base of calcitroic acid.


red chlorophyll catabolite(2-)

Dianion of red chlorophyll catabolite.


S-substituted L-cysteine zwitterion

The zwitterionic form of an S-substituted L-cysteine.


S-substituted N-acetyl-L-cysteinate

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


name: primary fluorescent chlorophyll catabolite(2-)

description: Dianion of primary fluorescent chlorophyll catabolite.


D-glucopyranuronate

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


N-acetyl-beta-muramate 6-phosphate

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


N-acetylmuramate 6-phosphate

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


An ammonium ion that is the conjugate acid of 2-amino-2-deoxy-D-glucopyranose.


Conjugate base of threo-3-methyl-L-aspartic acid.


An organophosphate oxoanion that is the conjugate base of 2-amino-2-deoxy-D-glucopyranose 6-phosphate.


N-hydroxy-L-phenylalaninate

Conjugate base of N-hydroxy-L-phenylalanine.


N,N-dihydroxy-L-phenylalaninate

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


N-hydroxy-L-tryptophanate

Conjugate base of N-hydroxy-L-tryptophan.


N,N-dihydroxy-L-tryptophanate

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


Trianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions.


Conjugate acid of gamma-L-glutamylputrescine.


Trication of N-[(E)-4-aminobutylidene]propane-1,3-diamine.


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


Conjugate base of (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid.


D-mannopyranose 6-phosphate(2-)

A D-hexopyranose 6-phosphate(2-) that is the dianion of D-mannopyranose 6-phosphate arising from deprotonation of the phosphate function.


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


Dianion of (R)-2-O-sulfolactic acid arising from deprotonation of carboxylic acid and sulfate functions.


An organosulfonate oxoanion that results from the deprotonation of the carboxylic and sulfonic acid functions of (R)-3-sulfolactic acid.


Conjugate base of 2-aminobut-2-enoic acid.


pyropheophorbide a anion

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


13(2)-carboxypyropheophorbide a(2-)

Dianion of 13(2)-carboxypyropheophorbide a arising from deprotonation of both carboxylic acid functions.


A monocarboxylic acid anion that is the conjugate base of 3-(3,4-dihydroxyphenyl)propanoic acid.


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


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


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


N-iminiumylmethyl-L-aspartate

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


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

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


Conjugate base of (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid.


An L-arabinono-1,4-lactone with the 2-hydroxy group replaced by hydrogen.


Tetraanion of (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA arising from deprotonation of phosphate and diphosphate functions.


ADP-alpha-D-ribose 1''-phosphate(4-)

Tetraanion of ADP-alpha-D-ribose 1''-phosphate arising from deprotonation of phosphate and diphosphate functions. Major species at pH 7.3.


Trianion of 5'-phosphoguanylyl(3'->5')guanosine.


Trianion of N(6)-(UDP-N-acetylmuramoyl-L-alanyl-D-alpha-glutamyl)-D-lysine.


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


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


Conjugate base of S-(hydroxymethyl)glutathione.


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


Carboxylate anion of demethylsulochrin.


Conjugate acid of L-2,4-diaminobutyric acid.


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

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


Trianion of N(2)-succinyl-L-glutamic acid arising from global deprotonation of the carboxy groups.


Conjugate base of (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid.


N-acetyl-L-citrullinate

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


Trianion of 4-phospho-D-erythronic acid arising from deprotonation of phosphate and carboxylic acid functions.


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


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


An optically active form of 1-piperideine-6-carboxylate having (S)-configuration.


N-acetyl-alpha-neuraminate

A monocarboxylic acid anion that is the conjugate base of N-acetyl-alpha-neuraminic acid.


Dicarboxylate anion of (R)-2-(carboxymethyl)-5-oxo-2,5-dihydro-2-furoic acid.


L-methionine (S)-S-oxide zwitterion

Zwitterionic form of L-methionine (S)-S-oxide.


L-methionine (R)-S-oxide zwitterion

Zwitterionic form of L-methionine (R)-S-oxide.


3-dehydro-L-gulonate 6-phosphate

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


Conjugate base of 3-oxo-3-ureidopropanoic acid.


Dicarboxylate anion of 2-formylglutaric acid.


Dicarboxylate anion of 2-hydroxymethylglutaric acid.


Dicarboxylate anion of 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid.


Conjugate base of CDP-choline(1+) arising from deprotonation of the diphosphate function.


Conjugate base of 2,6-dihydroxynicotinic acid.


Conjugate base of (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one.


Conjugate base of D-dopachrome.


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


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


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


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


Tetraanion of cis-3,4-didehydroadipoyl-CoA semialdehyde arising from deprotonation of the phosphate and diphosphate functions.


Dicarboxylate anion of 3-(1-carboxyvinyloxy)anthranilic acid.


Conjugate base of 2-amino-2-deoxyisochorismic acid.


Dicarboxylate anion of 2-O-sinapoyl-D-glucaric acid.


Dicarboxylate anion of (3Z)-4-(2-carboxyphenyl)-2-oxobut-3-enoic acid.


Conjugate base of 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one arising from deprotonation of the 2-hydroxy group.


Trianion of (9S,10S)-10-hydroxy-9-(phosphonooxy)octadecanoic acid arising from deprotonation of carboxylic acid and phosphate functions.


A hydroxy fatty acid anion that is the conjugate base of (S,S)-9,10-dihydroxyoctadecanoic acid.


Zwitterionic form N-(6-aminohexanoyl)-6-aminohexanoic acid.


Conjugate base of (2S)-2-[(R)-1-carboxyethylamino]pentanoic acid.


Conjugate base of 4-(L-gamma-glutamylamino)butanoic acid.


An acyl-CoA(4-) that is the tetraanion of 3-hydroxycyclohexa-1,5-diene-1-carbonyl-CoA arising from deprotonation of phosphate and diphosphate functions.


5-amino-2-oxopentanoic acid zwitterion

Zwitterionic form of 5-amino-2-oxopentanoic acid.


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


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


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


ascopyrone M(1-)

Conjugate base of ascopyrone M.


ascopyrone P(1-)

Conjugate base of ascopyrone P.


5beta-scymnol sulfate(1-)

Conjugate base of 5beta-scymnol sulfate.


Conjjugate base of 3alpha,7alpha,12alpha-trihydroxy-5alpha-cholan-24-yl sulfate.


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


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


sophoraflavanone B(1-)

Conjugate base of sophoraflavanone B arising from deprotonation of the 7-hydroxy group.


leachianone G(1-)

Conjugate base of leachianone G arising from deprotonation of the 7-hydroxy group.


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


Dicarboxylate anion of 2-(2-methylthioethyl)malic acid.


Dicarboxylate anion of 2-(3-methylthiopropyl)malic acid.


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


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

Trianion of (R,R)-chrysanthemyl diphosphate.


lavandulyl diphosphate(3-)

Trianion of lavandulyl diphosphate.


terpentedienyl diphosphate(3-)

Trianion of terpentedienyl diphosphate.


tuberculosinyl diphosphate(3-)

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


sulfonatoacetate

An organosulfonate oxoanion that is the dianion of sulfoacetic acid arising from deprotonation of carboxylic acid and sulfo groups.


Conjugate base of (R)-beta-alanopine.


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


Heptaanionic form of precorrin-2.


Dianion of 5-(methylsulfanyl)-2,3-dioxopentyl phosphate.


(2S)-2-hydroxy-3-oxobutyl phosphate(2-)

The dianion resulting from the removal of the two acidic protons from the phosphate group of (2S)-2-hydroxy-3-oxobutyl phosphate.


iminoaspartate

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


dihomomethionine zwitterion

Zwitterionic form of dihomomethionine.


trihomomethionine zwitterion

Zwitterionic form of trihomomethionine.


tetrahomomethionine zwitterion

Zwitterionic form of tetrahomomethionine.


pentahomomethionine zwitterion

Zwitterionic form of pentahomomethionine.


hexahomomethionine zwitterion

Zwitterionic form of hexahomomethionine.


Dianion arising from deprotonation of the phosphate group of 2,3-bis-O-(geranylgeranyl)-sn-glycerol 1-phosphate.


Dianion arising from deprotonation of the diphosphate OH groups of CDP-2,3-bis-O-(geranylgeranyl)-sn-glycerol.


N(6)-Dihydrolipoyl-L-lysine residue protonated on the nitrogen at C-2.


N-hydroxydihomomethioninate

Conjugate base of N-hydroxydihomomethionine.


N-hydroxytrihomomethioninate

Conjugate base of N-hydroxytrihomomethionine.


N-hydroxytetrahomomethioninate

Conjugate base of N-hydroxytetrahomomethionine.


N-hydroxypentahomomethioninate

Conjugate base of N-hydroxypentahomomethionine.


N-hydroxyhexahomomethioninate

Conjugate base of N-hydroxyhexahomomethionine.


N,N-dihydroxyhexahomomethioninate

Conjugate base of N,N-dihydroxyhexahomomethionine.


N,N-dihydroxydihomomethioninate

Conjugate base of N,N-dihydroxydihomomethionine.


N,N-dihydroxytrihomomethioninate

Conjugate base of N,N-dihydroxytrihomomethionine.


N,N-dihydroxytetrahomomethioninate

Conjugate base of N,N-dihydroxytetrahomomethionine.


N,N-dihydroxypentahomomethioninate

Conjugate base of N,N-dihydroxypentahomomethionine.


PENTOSALEN

A member of the class of psoralens that is psoralen substituted by a prenyloxy group at position 8. Isolated from Angelica dahurica and Angelica koreana, it acts as a acetylcholinesterase inhibitor.


(3S)-3-hydroxy-L-asparagine zwitterion

Zwitterionic form of (3S)-3-hydroxy-L-asparagine.


Dianion arising from deprotonation of both carboxylic acid groups of 2-methyl-3-oxosuccinic acid.


Conjugate base of 5-deoxy-D-glucuronic acid.


Trianion arising from deprotonation of all three carboxylic acid groups of (2S,3S)-2-methylcitric acid.


An organophosphate oxoanion that is the conjugate base of 7,8-dihydro-D-neopterin 2',3'-cyclic phosphate, arising from deprotonation of the phosphate OH.


secondary aliphatic ammonium ion

A secondary aliphatic amine protonated on nitrogen.


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

An acyl-CoA(4-) oxoanion arising from deprotonation of the phosphate and diphosphate OH groups of any 2,3-trans-enoyl CoA; major species at pH 7.3.


Conjugate acid of N-(3-acetamidopropyl)-4-aminobutanal arising from deprotonation of the secondary amino function.


Zwitterionic form of 2-amino-2,3,7-trideoxy-D-lyxo-hept-6-ulosonic acid.


hydroxypyruvaldehyde phosphate(2-)

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


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


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


futalosinate

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


dehypoxanthine futalosinate

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


N-carbamoyl-L-alpha-amino acid anion

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


Dianion of (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate arising from deprotonation of both phosphate OH groups.


procollagen 5-hydroxy-L-lysinium(1+)

Procollagen 5-hydroxy-L-lysine protonated at the 6-amino group.


Conjugate base of 3,7-dideoxy-D-threo-hepto-2,6-diuolosonic acid.


Dication of N-(3-aminopropyl)-4-aminobutanal arising from protonation of both nitrogens.


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


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.


3,8'-biflaviolin 2,2'-diolate

Dianion of 3,8'-biflaviolin arising from selective deprotonation of the OH groups at the 2- and 2'-positions.


taurohyocholate

Conjugate base of taurohyocholic acid.


hyodeoxycholate

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


murideoxycholate

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


glycochenodeoxycholate 7-sulfate(2-)

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


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


Dianion of N-acetylphosphinothricin obtained by deprotonation of carboxylic acid and phosphinate functions.


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

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


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


flavonolate 7-O-beta-D-glucoside

The conjugate base of a 7-O-beta-D-glucosylflavonol compound.


Tricarboxylate anion of (2R)-homocitric acid.


Dianion of UDP-alpha-D-glucose arising from deprotonation of both free OH groups on the diphosphate moiety.


Conjugate acid of 1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside arising from protonation of the nitrogen.


Conjugate acid of 1D-myo-inositol 2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranoside arising from protonation of the amino acid nitrogen.


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


name: 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion

description: Zwitterionic form 6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate having an anionic phosphate group and a protonated nitrogen.


Dianion of 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate arising from deptonation of both OH groups of the phosphate.


Octaanion of precorrin-1 arising from global deprotonation of the carboxy groups.


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


2-hydroxy carboxylate

The conjugate base of a 2-hydroxy carboxylic acid.


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


Dianion of 2-amino-4,5-dihydroxy-6-oxo-7-(phosphonooxy)heptanoic acid having anionic carboxyl and phosphate groups and a protonated amino group.


alpha-D-glucosiduronate

The carboxylate anion formed from an alpha-D-glucosiduronic acid


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


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.


Zwitterionic form of beta-L-aspartylhydroxamic acid having an anionic carboxy group and a protonated amino group.


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

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


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


Conjugate base of S-sulfanylglutathione having both carboxy groups in anionic form and a protonated primary amino group.


An ammonium ion that is the conjugate acid of sphingosylphosphocholine, obtained by protonation of the amino group. Major species at pH 7.3.


precursor Z(2-)

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


L-galactose 1-phosphate(2-)

An  organophosphate oxoanion that is the dianion of L-galactose 1-phosphate arising from deprotonation of both OH groups of the phosphate.


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


thyroxine sulfate(1-)

Conjugate base of thyroxine sulfate having anionic carboxy and sulfate groups and the amino group protonated.


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


ternatin C5(2-)

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


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


all-trans-polyprenyl diphosphate(3-)

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


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


Conjugate acid of (R)-piperazine-2-carboxamide arising from selective protonation at the 4-position.


Zwitterionic form of (R)-piperazine-2-carboxylic acid having an anionic carboxy group and a protonated 1-amino group.


beta-alaninium amide

Conjugate acid of beta-alaninamide arising from protonation of the beta-amino group.


Conjugate acid of (S)-piperazine-2-carboxamide arising from selective protonation at the 4-position.


Zwitterionic form of (S)-piperazine-2-carboxylic acid having an anionic carboxy group and a protonated 1-amino group.


N-acyl-L-homoserinate

The L-stereoisomer of N-acylhomoserinate.


Conjugate base of lipoyl-AMP arising from deprotonation of the free phosphate OH group.


isopimarate

Conjugate base of isopimaric acid.


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


L-tagatofuranose 6-phosphate(2-)

An organophosphate oxoanion that is the dianion of L-tagatofuranose 6-phosphate arising from deprotonation of both OH groups of the phosphate.


L-lupinic acid zwitterion

Zwitterionic form of L-lupinic acid having an anionic carboxy group and a protonated nitrogen.


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


Zwitterionic form of N(4)-acetyl-L-2,4-diaminobutyric acid having an anionic carboxy group and a protonated nitrogen.


indapamide

A sulfonamide formed by condensation of the carboxylic group of 4-chloro-3-sulfamoylbenzoic acid with the amino group of 2-methyl-2,3-dihydro-1H-indol-1-amine.


Conjugate acid of 16-methoxytabersonine arising from protonation of the endocyclic tertiary amino group.


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


name: Zwitterionic polysialic acid acetylated at O-9

description: Zwitterionic form of a 9-O-acetylated polysialic acid compound having anionic carboxy groups and protonated amino groups.


propanoyl phosphate(2-)

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


Conjugate base of 2,2'-iminodipropanoic acid having both carboxy groups in anionic form and the nitrogen protonated.


Conjugate acid of 2,4-diaminopentanoic acid having both nitrogens protonated and an anionic carboxy group.


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


thiamine(1+) diphosphate(3-)

Dianion of thiamine(1+) diphosphate arising from deprotonation of the three OH groups of the diphosphate.


thiamine(1+) triphosphate(4-)

Trianion of thiamine(1+) diphosphate arising from deprotonation of the four OH groups of the triphosphate.


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


ADP-D-galactose

An ADP-aldose in which the aldose component is specified as D-galactopyranose.


cyclic tetrapyrrole anion

An organic anion arising from deprotonation of a cyclic tetrapyrrole compound.


cationic amino-acid residue

An amino-acid residue protonated on nitrogen.


alpha-amino-acid cation residue

An amino-acid cation residue in which the site of protonation is on the alpha-amino nitrogen.


dialkyl phosphate anion

The conjugate base of a dialkyl phosphate compound


organophosphate oxoanion

An organic phosphoric acid derivative in which one or more oxygen atoms of the phosphate group(s) has been deprotonated.


acyl-CoA oxoanion

Any acyl coenzyme A thioester in which one or more of the phosphate and/or diphosphate groups has been deprotonated.


N-acylhomoserinate

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


The monoanion formed by loss of a carboxylate proton from an aryl(methyl)malonic acid.


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


very long-chain fatty acid anion

Any fatty acid anion with a chain length greater than C22.


short-chain fatty acid anion

Any fatty acid anion obtained by removal of a proton from the carboxy group of a short-chain fatty acid (chain length of less than C6).


saturated fatty acid anion

Any fatty acid anion in which there is no C-C unsaturation.


name: straight-chain saturated fatty acid anion

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


branched-chain fatty acid anion

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


name: branched-chain saturated fatty acid anion

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


carboxylatoacetyl group

The substituent group formed from malonate(1-) ion.


organosulfate oxoanion

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


An aminopyrimidine compound having its amino group at position 2 and hydroxy and methyl substituents at positions 4 and 6 respectively.


An aminopyrimidine compound having its amino group at position 2 and chloro and methyl substituents at positions 4 and 6 respectively.


N-arachidonoylglycine

Biologically active derivative of anandamide


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


procion orange MX-2R

A 2,4-dichloro-1,3,5-triazine with a multi-substituted napthalen-2-yldiazenyl substituent at the 6-position.


cyanuric chloride

A chloro-1,3,5-triazine in which the triazine ring is substituted on each carbon by chlorine. Its main use is in the preparation of the triazine-class pesticides.


procion yellow MX-4R

A organic sodium salt that is the disodium salt of an azo-substituted pyrazolinone sulfonic acid compound.


4,8,12-trimethyltridecanoic acid

A methyl-branched fatty acid consisting of tridecanoic acid having methyl substituents at positions 4, 8 and 12.


The S stereoisomer of (E)-4-hydroxynon-2-enal.


The E (trans) stereoisomer of 4-hydroxynon-2-enal; it is the primary alpha,beta-unsaturated hydroxyalkenal produced by lipid peroxidation in cells.


An aminopyrimidine, the structure of which is that of trimethoprim (pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge) carrying a 6-hydroxy substituent.


The enal that is (E)-non-2-enal substituted with an oxo group at C-4.


An L-histidine derivative that is an adduct formed between the histidine molecule and (2E,4R)-4-hydroxynon-2-enal.


epicillin

A penicillin in which the substituent at position 6 of the penam ring is a (2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetamido group.


p-azobenzenesulfonic acid

Azobenzene carrying a single sulfonate substituent at the para-position.


p-azobenzenesulfonate

A benzenesulfonate that is the conjugate base of p-azobenzenesulfonic acid.


azidocilloyl group

An acyl group formed from nucleophilic cleavage of the beta-lactam ring of azidocillin.


piperidinium

The conjugate acid of piperidine; major species at pH 7.3.


A tripeptide consisting of betaAlaGlyGly with a 2,4,6-trinitrophenyl) substituent on the nitrogen of beta-alanine.


A tripeptide consisting of betaAlaGlyGly with a 4-hydroxy-3-iodo-5-nitrophenylacetyl substituent on the beta-alanine nitrogen.


phenethicilloyl group

An acyl group formed from nucleophilic cleavage of the beta-lactam ring of phenethicillin


A tripeptide consisting of AcTyrGlyGly with a (4-trimethylammoniophenyl)diazenyl group at the 3-position on the tyrosine phenyl ring.


An  aminonaphthalenesulfonic acid fluorophore with a structure consisting of ethylenediamine substituted on the nitrogens with iodoacetyl and 5-sulfonyl-1-naphthyl groups.


bihapten 1

A butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dihydroxyphenyl)nonyl substituent at the 5-position.


(4-hydroxy-3-nitrophenyl)acetyl azide

An azide carrying a (4-hydroxy-3-nitrophenyl)acetyl substituent.


A univalent carboacyl group formed by loss of OH from the carboxy group of 6-[(4-hydroxy-3-nitrophenyl)acetamido]caproic acid.


The conjugate base of 3,4,5-trimethoxybenzoic acid.


(p-hydroxyphenyl)glycinamido group

A substituent group formed from the amide of 2-(p-hydroxyphenyl)glycine. It constitutes the side chain of amoxicillin (but without specification of stereochemistry).


The amino acid amide that is the amide of 2-(p-hydroxyphenyl)glycine.


A monocarboxylic acid consisting of valeric acid having a 2,3-dimethoxy-4-methylphenyl group attached to C-5.


A  monocarboxylic acid anion that is the conjugate base of 5-(2,3-dimethoxy-4-methylphenyl)pentanoic acid, formed by proton loss from the carboxy group.


A 1,3-oxazole compound having a beta-styryl substituent at the 2-position, an ethoxymethylene group at the 4-position, and an oxo group at the 5-position.


AZOBENZENE

The (E)-isomer of azobenzene.


(Z)-azobenzene

The (Z)-isomer of azobenzene.


carbapenem MM22383

A carbapenemcarboxylic acid having a 2-(acetamidovinyl)sulfanyl group at the 2-position and an (S)-1-hydroxyethyl group at the 6-position.


An organobromine compound that is bromobenzene substituted at C-2 and -4 with nitro groups.


Iodobenzene substituted at C-2 and -4 with nitro groups.


4-vinylcyclohexene dioxide

The diepoxide of 4-vinylcyclohexene.


N-arachidonoylglycinate

Conjugate base of N-arachidonoylglycine.


alpha-sulfophenylacetate

A monocarboxylic acid anion that is the conjugate base of alpha-sulfophenylacetic acid.


6-formamidopenicillanic acid

A penicillanic acid having a (6R)-formamido substituent.


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


A multi-substituted pyrazolecarboxamide used in the industrial synthesis of sildenafil.


A 4-ethoxy-3-carboxybenzenesulfonamide in which the sulfonamide nitrogen is a member of a piperazine ring.


piroctone

A cyclic hydroxamic acid that consists of 1-hydroxypyridin-2-one bearing methyl and 2,4,4-trimethylpentyl substtituents at positions 4 and 6 respectively.


butanal oxime

An aliphatic aldoxime resulting from the formal condensation of the carbonyl group of n-butanal with hydroxylamine.


3-(imidazol-4-yl)pyruvic acid

A pyruvic acid having a 1H-imidazol-4-yl substituent at the 3-position.


A  monocarboxylic acid amide, being a derivative of (3,5-dioxopyrazolidin-4-yl)acetamide substituted at nitrogen by a 5-carboxypentyl chain.


hesperetin 7-O-beta-D-glucoside

A flavanone 7-O-beta-D-glucoside having hesperetin as the flavanone component.


NEOHESPERIDIN

A flavanone glycoside that is hesperitin  having an 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety attached to the 7-hydroxy group.


A  dicarboxylic acid diamide that is a derivative of butyl(hydroxy)malonic acid in which one carboxy group has formed a hydrazide with 1,2-diphenylhydrazine and the other an amide with 6-aminohexanoic acid.


N-methylcyclohexylamine

A secondary aliphatic amine having methyl and cyclohexyl as the two alkyl groups.


N-methylbutylamine

A secondary aliphatic amine having methyl and n-butyl as the two alkyl groups.


alpha-methyltryptamine

A tryptamine derivative having a methyl substituent at the alpha-position.


A 1,2,3,4-tetrahydroisoquinoline having chloro substituents at the 7- and 8-positions and a methyl substituent at the 2-position.


N,N-dimethylcyclohexylamine

A tertiary amine consisting of cyclohexane having a dimethylamino substituent.


N,N-dimethylbutylamine

A tertiary amine consisting of n-butane having a dimethylamino substituent at the 1-position.


N,alpha-dimethyltryptamine

A tryptamine derivative having methyl substituents at the N-and alpha-positions of the aminoethyl side-chain.


N-methylpyrazole

A member of the class of  pyrazoles that is the 1-methyl derivative of 1H-pyrazole.


AMPYRONE

A pyrazolone, a member of the class of  pyrazoles that is antipyrine substituted at C-4 by an amino group.  It is a metabolite of aminopyrine and of metamizole.


STROPHANTHIDIN ACETATE

An acetate ester that is strophanidin acetylated at the 3beta-hydroxy group.


cardanolide glycoside

Any 3beta-glycosylated cardanolide.


oleandrin

A steroid saponin that consists of oleandrigenin having a 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl residue attached to the oxygen function at position 3.


A trisaccharide glucosaminyl group resulting from periodate treatment of the N-glycan phytohemaglutinin(PHA). In the structure, the asterisk represents the point of attachment to an asparagine residue in the protein part of the originating glycoprotein.


A branched amino heptasaccharide consisting of a linear chain of an alpha-D-mannose residue, a beta-D-mannose residue and two N-acetyl-beta-D-glucosamine residues linked sequentially (1->6), (1->4) and (1->4), to the alpha-D-mannose residue of which are linked (1->3) and (1->2) alpha-D-mannose and beta-D-xylose residues respectively, while the N-acetyl-beta-D-glucosamine residue at the reducing end also carries an alpha-L-fucose residue via a (1->3) linkage.  It forms the heptasaccharide portion of the N-glycan phytohemaglutinin (PHA).


A sulfonamide obtained by formal condensation of the sulfo group of 5-(dimethylamino)-naphthalene-1-sulfonic acid with the amino group of 4-nitrosobenzylamine.


A sulfonamide formed by dansylation of 4-hydroxyaminobenzylamine; used as a fluorescence-labelled model hapten.


A sulfonamide formed by dansylation of 4-aminobenzylamine; used as a fluorescence-labelled model hapten.


p-aminodiphenylamine

An aromatic amine that is the 4-amino derivative of diphenylamine.


The dicarboxylate anion of cromoglycic acid.


A dicarboxylic acid monoamide that is the N-antipyrinyl derivative of adipamic acid.


adipamic acid

The monoamide of adipic acid.


PAL

A polyamide that is an oligo-L-lysine derivative in which four of the lysine residues carry adipic acid, which is linked via one of the carboxy groups to the epsilon-amino function. It is used as a haptenic carrier.


A branched amino tetrasaccharide consisting of N-acetyl-beta-D-glucosamine at the reducing end having an alpha-L-fucosyl residue attached at the 3-position and an alpha-L-fucosyl-(1->2)-beta-D-galactosyl moiety attached at the 4-position. A cancer-associated tetrasaccharide antigen which constitutes the core structure recognised by therapeutic antibody BR96. Conformational restriction around the GlcNAc residue is a key feature of its structure.


An amino tetrasaccharide that is the 9-(methoxycarbonyl)-1-nonyl derivative of the Lewis Y polysaccharide.


An allergenic amino pentasaccharide which constitutes the minimal structural unit for eliciting sea squirt allergy in the skin of susceptible patients.


Phenol substituted with nitro groups at both ortho-positions and at the meta-position.


SULFURIC ACID DIMETHYL ESTER

The dimethyl ester of sulfuric acid.


DIETHYL PYROCARBONATE

The diethyl ester of dicarbonic acid.


ketoxal

A butanone derivative having two hydroxy substituents at the 1-position and an ethoxy substituent at the 3-position.


A carbodiimide having cyclcohexyl and 2-(4-morpholinyl)ethyl as the two N-substituents.


N-methylisatoic anhydride

A 3,1-benzoxazin-1,4-dione having an N-methyl substituent.


A tetracarboxylic acid consisting of ethylenediaminetetraacetic acid having a 4-bromoacetamidobenzyl group at the C1-position and (S)-configuration.


EDTA methidiumpropylamide

A combined intercalating and chelating reagent. The iron chelate, prepared by adding Fe(NH4)2(SO4)2, effects random oxidative cleavage of DNA in the presence of O2 and a reducing agent. This activity is useful as a footprinting probe.


sulfachlorpyridazine

A sulfonamide antimicrobial used for urinary tract infections and in veterinary medicine.


hexyl isocyanate

An isocyanate in which a single isocyanato substituent is located at C-1 of a hexane molecule; found to be immunogenic in guinea pigs.


methyl isocyanate

The isocyanate that is methane modified by a single isocyanato substituent.


A phenylpropanoid consisting of eugenol having a methyl substituent at the 6-position.


A naphthalen-1-one having an N-2,4-dichlorophenylglycinamido group at the 2-position and a [(2,4-dichlorophenyl)amino]sulfonyl group at the 7-position.


POLYMYXIN B2

A polymyxin having a 6-methylheptanoyl group at the amino terminus.


colistin A

A polymyxin having a (6R)-6-methyloctanoyl group at the amino terminus.


A secondary alcohol that is cyclohexanol substituted by two methyl groups at the 3-position and one methyl group at the 5-position. It exhibits inhibitory activity against HMG-CoA reductase ( EC 1.1.1.34/EC 1.1.1.88).


oxolinate

Conjugate base of oxolinic acid.


penotonium cation

A carboxylic ester having diphenylacetic acid as the carboxylic acid component and a 2-(trialkylammonium)ethanol as the alcohol component.


2-cyanocinnamic acid

A cinnamic acid derivative having a cyano substituent at the 2-position of the phenyl ring.


Conjugate base of 2-cyanocinnamic acid.


homofenazine

A phenothiazine derivative having a trifluoromethyl subsitituent at the 2-position and a 3-[4-(2-hydroxyethyl)diazepin-1-yl]propyl group at the N-10 position.


A phenylpropanoid consisting of eugenol having a methyl substituent at the 5-position.


A phenylpropanoid consisting of eugenol having a methyl substituent at the 3-position.


A phenylpropanoid that is an analogue of eugenol in which an isopropoxy group replaces the methoxy group.


An isoeugenol derivative carrying a 6-methyl substituent.


An isoeugenol derivative carrying a 5-methyl substituent.


A glycan residue involved in post-translational modification of proteins.


An N-glycan residue involved in post-translational modification of proteins.


A dolichyl diphosphooligosaccharide intermediate involved in post-translational modification of proteins.


An isoeugenol derivative carrying a 3-methyl substituent.


An N-glycan group involved in post-translational modification of proteins.


An analogue of isoeugenol in which an isopropoxy group replaces the methoxy group.


A D-glucosyl-D-mannose with the two components joined by an alpha-(1->2)-linkage


The galactosyl group formed from the disaccharide alpha-D-galactosyl-(1->3)-D-galactose.


A derivative of eugenol with methyl substituents at ring positions 3, 5 and 6.


tetrachlorophthalic anhydride

A cyclic dicarboxylic anhydride that is phthalic anhydride chlorinated at the 4-, 5-, 6- and 7-positions.


A triisocyanate being a derivative of isocyanuric acid with a 6-isocyanatohexyl group at each of the 1-, 3- and 5-positions.


A derivative of isoeugenol with three methyl substituents at position 9.


A derivative of biuret having three 6-isocyanatohexyl groups at the 1-, 3- and 5-positions.


A spirocyclic epoxide obtained by formal addition of a methylene group to the carbonyl moiety of 5-isopropenyl-2-methylcyclohex-2-en-3-one.


A bicyclic epoxide derived from (4S)-limonene.


phenolic glycolipid-1

A lipooligosaccharide whose structure comprises a phenolic phthiocerol core linked to a unique trisaccharide (3,6-di-O-methyl-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-alpha-L-rhamnopyranosyl-(1->2)-3-O-methyl-alpha-L-rhamnopyranose) at one end and a mixture of long-chain mycocerosyl fatty acyl groups (depicted C(=O)R in the diagram) at the other end.


Catechol substituted at positions 5 and 6 (3 and 4) with methyl groups and at position 6 (3) with a pentadecyl group.


N(4)-glycosylated L-asparagine residue

An L-asparagine residue having a glycosyl moiety attached to the side-chain amide nitrogen.


Catechol substituted at positions 3, 4 and 5 (4, 5 and 6) with methyl groups and at position 6 (3) with a pentadecyl group.


Catechol substituted at position 3 with a pentadecyl group.


Catechol substituted at position 3 with a heptadecyl group.


A dimethoxybenzene that is veratrole substituted at position 3 with a heptadecyl group.


A dimethoxybenzene with the methoxy groups at ortho-positions.


clopenthixol

A thioxanthene derivative having a chloro substituent at the 2-position and an alkylidene group at the 10-position with undefined double bond stereochemistry.


metofenazate

A phenothiazine derivative having a chloro subsitituent at the 2-position and a 4-substituted 3-(piperazin-1-yl)propyl group at the N-10 position.


pacatal

A phenothiazine derivative in which 10H-phenothiazine has an N-methylpiperidin-4-ylmethyl substituent at the N-10 position.


perazine

A phenothiazine derivative in which 10H-phenothiazinecarries a 3-(4-methylpiperazin-1-yl)propyl substituent at the N-10 position.


thiopropazate

A phenothiazine derivative in which 10H-phenothiazine has a chloro subsitituent at the 2-position and a 3-[4-(2-acetoxyethyl)piperazin-1-yl]propyl group at N-10.


thioproperazine

A phenothiazine derivative in which the phenothiazine tricycle has a dimethylaminosulfonyl substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at N-10.


iodobenzoic acid

A member of the class of benzoic acids that is benzoic acid bearing at least one iodo substituent.


An iodobenzoate with a single iodo substituent placed at the 2-position.


iodobenzoate

A benzoate carrying at least one iodo substituent.


sodium thiosalicylate

A sulfanylbenzoic acid that is the 2-sulfanyl derivative of benzoic acid.


The anion formed by deprotonating fosinopril at the carboxyl proton.


sulfanylbenzoic acid

A benzoic acid carrying at least one sulfanyl substituent.


Conjugate base of thiosalicylic acid.


O-methylsalicylate

Conjugate base of O-methylsalicylic acid.


The N-[(p-azobenzenearsonic acid)-L-tyrosyl] derivative of phosphatidylethanolamine.


The deacylated homologue of mono(p-azobenzenearsonic acid)-L-tyrosylphosphatidylethanolamine.


Conjugate base of 5-chlorosalicylic acid.


An isocyanate that is diphenylmethane with a isocyanato substituent at the 4-position of one phenyl ring and a methyl group at the 4-position of the other.


An isocyanate that is 1,1,3,3-tetramethylcyclohexane in which one of the methyl groups carries a isocyanato substituent.


Cinchonan or its (8S)-epimer.


The (8S)-epimer of cinchonan.


gibberellin carboxylic acid anion

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


precorrin carboxylic acid anion

A carboxylic acid anion arising from deprotonation of one or more of the carboxyl groups in any precorrin derivative.


phanquinone

An orthoquinone that is the 5,6-diketo derivative of 4,7-phenanthroline.


A butan-4-olide having a chloromethyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a bromomethyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a mesyloxymethyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a tosyloxymethyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a (4-methoxyphenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a (phenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a (4-chlorophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a (4-nitrophenylsulfonyloxy)methyl group at the 3-position and two methyl substituents at the 5-position.


A butan-4-olide having a thiocyanatomethyl group at the 3-position and two methyl substituents at the 5-position.


flucloxacilloyl group

An acyl group formed from nucleophilic cleavage of the beta-lactam ring of flucloxacillin.


A spirocyclic epoxide arising from epoxidation of (1R,4R)-4-isopropenyl-1-methyl-2-methylidenecyclohexane


An alicyclic compound consisting of cyclohexane carrying methyl, methylidene and isopropenyl groups at positions 1-, 2- and 4 respectively.


A spirocyclic epoxide derived from p-menthane.


A monoterpene consisting of methylenecyclohexane having an isopropyl substituent at the 4-position.


A chiral monoterpene consisting of cyclohexene having isopropyl and methyl substitents at the 3- and 6-positions respectively.


poly(L-lysine) hydrobromide

The hydrobromide salt of poly(L-lysine).


beta-terpinene

One of three isomeric monoterpenes differing in the positions of their two double bonds (alpha- and gamma-terpinene being the others). In beta-terpinene the double bonds are at the 1(7)- and 3-positions of the p-menthane skeleton. beta-Terpinene has no known natural source.


triisocyanate

Members of the class of isocyanates that include compounds containing three isocyanate functional groups.


An acyclic monoterpene resulting from fission of the C-4-C-5 bond in alpha-terpinene.


biomarker

A substance used as an indicator  of a biological state.


The dianion of balsalazide.


nonaethylene glycol monomethyl ether

Nonaethylene glycol in which one of the hydroxy groups is substituted by methoxy.


betazole

Pyrazole in which a hydrogen adjacent to one of the nitrogen atoms is substituted by a 2-aminoethyl group. It is a histamine H2-receptor agonist used clinically to test gastric secretory function.


bivalirudin

A synthetic peptide of 20 amino acids, comprising D-Phe, Pro, Arg, Pro, Gly, Gly, Gly, Gly, Asn, Gly, Asp, Phe, Glu, Glu, Ile, Pro, Glu, Glu, Tyr, and Leu in sequence. A congener of hirudin (a naturally occurring drug found in the saliva of the medicinal leech), it a specific and reversible inhibitor of thrombin, and is used as an anticoagulant.


hapten

Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.


The anion formed by deprotonating bromfenac at the carboxyl proton.


bromodiphenhydramine

A  tertiary amino compound that is the 4-bromobenzhydryl ether of 2-(dimethylamino)ethanol. An antihistamine with antimicrobial properties, it is used in the control of cutaneous allergies.


(R)-bambuterol

The (R)-enantiomer of bambuterol.


(S)-bambuterol

The (S)-enantiomer of bambuterol.


(R)-bevantolol

The (R)-enantiomer of bevantolol.


(S)-bevantolol

The (S)-enantiomer of bevantolol.


(R)-bitolterol

The (R)-enantiomer of bitolterol.


(S)-bitolterol

The (S)-enantiomer of bitolterol.


Zwitterionic imine tautomer of alpha,beta-didehydrotryptophan.


A zwitterion resulting from the transfer of a proton from the carboxy group to the nitrogen of the imino tautomer of 7-chloro-alpha,beta-didehydrotryptophan.


A 2,3-dehydroamino acid derived from 7-chlorotryptophan.


dichlorochromopyrrolic acid

A pyrrole-2,5-dicarboxylic acid having 7-chloroindol-3-yl groups at the 3- and 4-positions.


pyrroledicarboxylic acid

A pyrrole compound having two carboxy substituents at any position on the ring.


dichlorochromopyrrolate

Dicarboxylate anion of dichlorochromopyrrolic acid.


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


(2xi)-D-gluco-heptonic acid

An unspecified mixture of (2R)- and 2(S)-D-gluco-heptonic acid.


straight-chain fatty acid

Any fatty acid whose skeletal carbon atoms form an unbranched open chain.


straight-chain fatty acid anion

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


carbetocin

Oxytocin in which the hydrogen on the phenolic hydroxy group is substituted by methyl, the amino group on the cysteine residue is substituted by hydrogen, and the sulfur of the cysteine residue is replaced by a methylene group. A synthetic carba-analogue of oxytocin, it is used to control bleeding after giving birth. Like oxytocin, it causes contraction of the uterus.


The anion formed by deprotonating carboprost at the carboxyl proton.


(R)-carprofen

The (R)-(-)-enantiomer of carprofen.


(S)-carprofen

The (S)-(+)-enantiomer of carprofen.


A branched amino pentasaccharide consisting of the linear sequence beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc having a Neu5Ac residue attached to the inner galactose via an alpha-(2->3) linkage. The oligosaccharide of ganglioside GM1a.


A branched amino hexasaccharide consisting of the linear sequence alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc having a Neu5Ac residue attached to a galactose via an alpha-(2->3) linkage. The oligosaccharide of ganglioside GD1a.


A linear amino tetrasaccharide consisting of two sialyl, one galactose and one glucose residue (at the reducing end) connected by sequential alpha-(2->8)-, alpha-(2->3)- and beta-(1->4)-linkages. The oligosaccharide of ganglioside GD3.


cefotiam hexetil

The 1-(cyclohexyloxycarbonyloxy)ethyl ester of cefotiam. It is used as its dihydrochloride salt as a prodrug for cefotiam.


An amino oligosaccharide that is a branched octasaccharide derivative consisting of four sialyl residues, two galactose residues, one N-acetylglucosamine and a glucose residue at the reducing end.


cefpiramide

A third-generation cephalosporin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl and (R)-2-{[(4-hydroxy-6-methylpyridin-3-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a broad spectrum of antibacterial activity.


The anion resulting from the removal of a proton from the carboxylic acid group of cefpiramide.


A branched heptasaccharide derivative consisting of three sialyl residues, two galactose residues, one N-acetylglucosamine and a glucose residue at the reducing end. The oligosaccharide of ganglioside GT1a.


An amino tetrasaccharide consisting of beta-D-galactose, N-acetyl-beta-D-galactosamine, beta-D-galactose and beta-D-glucose residues in a linear (1->3), (1->4), (1->4) sequence. It is the carbohydrate portion of ganglioside GA1.


The anion of cephapirin obtained by removal of a proton form the carboxylic acid group.


A branched amino pentasaccharide consisting of a linear sequence of two alpha-sialyl residues, a beta-D-galactosyl residue and an N-acetyl-beta-D-glucosamine residue linked respectively (2->8), (2->8) and (1->4), to the galactosyl residue of which is also linked (1->4) an N-acetyl-beta-D-glucosaminyl residue. It is the carbohydrate portion of ganglioside GD2.


ceruletide

A decapeptide comprising 5-oxoprolyl, glutamyl, aspartyl, O-sulfotyrosyl, threonyl, glycyl, tryptopyl, methionyl, aspartyl and phenylalaninamide residues in sequence. Found in the skins of certain Australian amphibians, it is an analogue of the gastrointestinal peptide hormone cholecystokinin and stimulates gastric, biliary, and pancreatic secretion. It is used in cases of paralysis of the intestine (paralytic ileus) and as a diagnostic aid in pancreatic malfunction.


INGENOL

A tetracyclic diterpenoid that is 1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one substituted at positions 5, 5a and 6 by hydroxy groups, positions 1, 1, 7 and 9 by methyl groups, position 4 by a hydroxymethyl group and position 1 by an oxo group (the 1aR,2S,5R,5aR,6S,8aS,9R,10aR diastereomer).


A branched amino tetrasaccharide consisting of the linear sequence beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc having a Neu5Ac residue attached to the galactose via an alpha-(2->3) linkage. Corresponds to the carbohydrate portion of ganglioside GM2.


An amino hexasaccharide that is the carbohydrate portion of ganglioside GalNAc-GD1a.


A branched amino hexasaccharide comprising a beta-D-galactosyl-(1->4)-beta-D-glucose disaccharide, the galactosyl residue of which carries beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl and N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl disaccharide units through (2->4) and (2->3) linkages respectively. It is the carbohydrate portion of ganglioside GD1b.


cetrorelix

A synthetic ten-membered oligopeptide comprising N-acetyl-3-(naphthalen-2-yl)-D-alanyl, 4-chloro-D-phenylalanyl, 3-(pyridin-3-yl)-D-alanyl, L-seryl, L-tyrosyl, N(5)-carbamoyl-D-ornithyl, L-leucyl, L-arginyl, L-prolyl, and D-alaninamide residues coupled in sequence. A gonadotrophin-releasing hormone (GnRH) antagonist, it is used for treatment of infertility and of hormone-sensitive cancers of the prostate and breast.


A branched amino heptasaccharide  comprising a beta-D-galactosyl-(1->4)-beta-D-glucose disaccharide, the galactosyl residue of which carries an N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl trisaccharide unit and an N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl disaccharide unit through (2->4) and (2->3) linkages respectively. It corresponds to the carbohydrate portion of ganglioside GT1b.


An amino trisaccharide that is the carbohydrate portion of ganglioside GM3. It comprises a linear sequence of alpha-N-acetylneuraminyl, beta-D-galactosyl and beta-D-glucose residues linked (2->3) and (1->4).


mellitic acid hexaanion

The hexacarboxylate anion of mellitic acid.


A sialopentaosylceramide having beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc as the sialopentaosyl component.


acetate salt

Any salt prepared using acetic acid as the acid component.


PCM 2477 oligosaccharide

The eleven-membered core polysaccharide derivative from Yokenella regensburgei strain PCM 2477.


PCM 2476 oligosaccharide

The eleven-membered core polysaccharide derivitive from Yokenella regensburgei strain PCM 2476.


methoxy mycolic acid

A mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of tetracosanoic acid substituted at position 2 by a 1-hydroxy-18-[2-(17-methoxy-18-methylhexatriacontyl)cyclopropyl]octadecyl group.


keto mycolic acid

A mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of tetracosanoic acid substituted at position 2 by a 1-hydroxy-18-[2-(18-methyl-17-oxohexatriacontyl)cyclopropyl]octadecyl group.


alpha-mycolic acid

A mycolic acid produced by Mycobacterium tuberculosis. Its structure is that of hexacosanoic acid substituted at position 2 by a 1-hydroxy-16-{2-[14-(2-octadecylcyclopropyl)tetradecyl]cyclopropyl}hexadecyl group.


A lipooligosaccharide consisting of a phenolic phthiocerol core linked to the trisaccharide 3,6-di-O-methyl-alpha-D-glucopyranosyl-(1->4)-2,3-di-O-methyl-alpha-L-rhamnopyranosyl-(1->2)-3-O-methyl-alpha-L-rhamnopyranose.


phenolic phthiocerol

A lipid derived from phthiocerol, having a 4-hydroxyphenyl substituent at the 29-position.


cyclic fatty acid

Any fatty acid containing anywhere in its structure a ring of atoms.


phthiocerol A

A lipid-based glycol consisting of (3S,4R)-3-methoxy-4-methylnonacosane having (9R)- and (11S)-hydroxy substituents; a characteristic constituent of the waxes of tubercule bacilli.


An amido disaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa (PDB entry: 1F4Y).


flucofuron

A member of the class of phenylureas that is urea in which each nitrogen is substituted by a 4-chloro-3-(trifluoromethyl)phenyl group.


(R)-bendroflumethiazide

The (R)-enantiomer of bendroflumethiazide.


(S)-bendroflumethiazide

The (S)-enantiomer of bendroflumethiazide.


A monochlorobenzene that is the 3-trifluoromethyl derivative of 4-chloroaniline.


sulcofuron

An organochlorine pesticide consisting of 1,3-diphenylurea having chloro substituents at the 3-, 4- and 5'-positions and a 4-chloro-2-sulfophenoxy group at the 2'-position.


sulcofuronate

Conjugate base of sulcofuron.


A tetrasaccharide comprising four mannosyl residues joined by alpha(1->2) linkages.


A tetrasaccharide comprising four D-mannose residues joined by beta(1->2) linkages.


(R)-betaxolol

The (R)-enantiomer of betaxolol.


linear tetrapyrrole anion

An organic anion arising from deprotonation of a acyclic tetrapyrrole compound.


levobetaxolol

The (S)-enantiomer of betaxolol.


A trisaccharide derivative and oligosaccharide phosphate comprised of one alpha-D-glucopyranosyl and two L-glycero-alpha-D-manno-heptopyranosyl residues.  The sequence is present in enterobacterial lipopolysaccharide from all E. coli, Salmonella and Shigella.


N-hydroxy-alpha-amino-acid anion

An N-hydroxylated alpha-amino-acid anion.


A glycosylxylose derivative that comprises the highly antigenic lipooligosaccharide, LOS-III, epitope of Mycobacterium gastri.


(R)-bethanechol

The (R)-enantiomer of bethanechol.


(S)-bethanechol

The (S)-enantiomer of bethanechol.


palmitelaidic acid

A straight-chain, monounsaturated, 16-carbon fatty acid with a trans-double bond at position C-9; the trans-isomer of palmitoleic acid and predominant trans-16:1 isomer in cheeses from goat and ewe milk. Major dietary sources are partly hydrogenated vegetable oils.


amino trisaccharide

An amino oligosaccharide that is a trisaccharide having one or more substituted or unsubstituted amino groups in place of hydroxy groups at unspecified positions.


An amido pentasaccharide fragment which mimicks the terminus of the O-polysaccharide of Vibrio cholerae O:1, serotype Ogawa.


amino pentasaccharide

A pentasaccharide derivative having one or more substituted or unsubstituted amino groups in place of hydroxy groups at unspecified positions.


dexbrompheniramine

The (pharmacologically active) (S)-(+)-enantiomer of brompheniramine. A histamine H1 receptor antagonist, it is used (commonly as its maleate salt) for the symptomatic relief of allergic conditions, including rhinitis and conjunctivitis.


2-hydroxymyristic acid

A  long-chain fatty acid that is a derivative of myristic acid having a hydroxy substituent at C-2.


γ-iE-DAP

The gamma-D-glutamyl derivative of meso-diaminopimelic acid. Minimal ligand of NOD1.


An amido disaccharide comprising 4,6-dideoxy-4-(2-methoxypropanamido)-3-C-methyl-2-O-methyl-L-mannopyranose linked through the anomeric carbon to the 3-hydroxy group of L-fucose.


methyl L-xylopyranoside

The methyl glycoside of L-xylopyranose.


L-xylopyranose

The pyranose form of L-xylose.


D-quinovosamine

D-glucosamine deoxygenated at C-6.


N-acetyl-D-quinovosamine

D-Quinovosamine acetylated on the amino nitrogen.


A disaccharide formed by an alpha1->3 glycosidic linkage between N-acetyl-L-galactosaminuronic acid and N-acetylquinovosamine.


A tetrasaccharide derivative consisting of alpha-L-rhamnose, alpha-D-galactose, N-acetyl-alpha-D-glucosamine and alpha-L-rhamnose residues in a linear (1->2, (1->3), (1->3) sequence.


A disaccharide consisting of alpha-L-rhamnose and alpha-D-galactose linked via a 1->2 glycosidic bond.


A trisaccharide consisting of two alpha-L-rhamnose residues and an alpha-D-galactose residue in a linear (1->3), (1->2) sequence.


name: E. coli strain F470 LPS core oligosaccharide 1

description: A branched twelve-membered oligosaccharide phosphate consisting of two galactose residues, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and two glucosamine residues, one of which is at the reducing end.  The unit constitutes one of the two core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain F470.


A glycosylmannose consisting of alpha-D-mannopyranose having a tyvelopyranosyl residue attached via an alpha-(1->3)-linkage


(R)-butaconazole

The (R)-enantiomer of butaconazole.


(S)-butoconazole

The (S)-enantiomer of butoconazole.


A disaccharide consisting of two 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl units joined via an alpha-(2->8)-linkage.


A trisaccharide consisting of three 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl units in a linear sequence.


An oligosaccharide derivative that is a branched octasaccharide derivative consisting of two galactose residues, three glucose residues, one N-acetylglucosamine residue and three L-glycero-alpha-D-manno-heptose residues, one of which is at the reducing end. The unit constitutes one of the core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from Salmonella species.


An alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-D-GlcpNAc where the glucosamine at the reducing end has beta-configuration at its anomeric centre. Commonly known as Lewis x trisaccharide or Le(x).


A beta-D-Galp-(1->3)-[alpha-L-Fucp-(1->4)]-D-GlcpNAc where the N-acetyl-D-glucosamine at the reducing end has beta-configuration at its anomeric centre.


An amino trisaccharide consisting of alpha-L-fucose, beta-D-galactose and N-acetyl-beta-D-glucosamine residues joined by sequential (1->2)- and (1->3)-linkages.


An amino disaccharide consisting of two 4-amino-4,6-dideoxy-D-mannose residues joined by an alpha-(1->2)-linkage.


S. flexneri Y polysaccharide

A bacterial polysaccharide derivative composed of a backbone of tetrasaccharide derivative repeating units that are joined to each other via beta-(1->2)-linkages.


A trisaccharide consisting of two 3-deoxy-D-manno-oct-2-ulose residues and a single N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages.


(R)-bromazine

The (R)-enantiomer of bromazine.


(S)-bromazine

The (S)-enantiomer of bromazine.


A tetrasaccharide consisting of three 3-deoxy-D-manno-oct-2-ulose residues and a single N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages.


A tetrasaccharide consisting of four 3-deoxy-D-manno-oct-2-ulose residues in a linear sequence, joined via alpha-linkages.


A trisaccharide consisting of three 3-deoxy-D-manno-oct-2-ulose residues in a linear sequence, joined via alpha-linkages.


A branched amino pentasaccharide consisting of four alpha-L-rhamnose residues (one at the reducing end) and a single beta-D-N-acetylglucosamine residue.


name: E. coli strain F576 LPS core oligosaccharide

description: A branched thirteen-membered oligosaccharide phosphate consisting of two galactose residues, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and three glucosamine residues, one of which is acetylated and another is at the reducing end. The unit constitutes the core oligosaccharide structure of enterobacterial lipopolysaccharide obtained from E. coli strain F576.


insulin

An insulin that is produced in the pancreas and involved in regulating the metabolism of carbohydrates (particularly glucose) and fats. Commonly thought of as a protein, it consists of two peptide chains, one containing 21 amino acid residues and the other containing 30; the chains are joined together by 2 disulfide bonds. Recombinant insulin is identical to human insulin, but is synthesised by inserting the human insulin gene into E. coli, which then produces insulin for human use. It is used in the treatment of type I and type II diabetes.


An aminotrisaccharide consisting of two rhamnose residues and one N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages.


A member of the class of phenols that is indan which has been hydroxylated at position 5.


A trisaccharide consisting of rhamnose, 2-deoxyrhamnose and N-acetylglucosamine residues in a linear sequence, joined via alpha-linkages.


A pentasaccharide consisting of four rhamnose residues (one at the reducing end) and one N-acetylglucosamine residue in a linear sequence, joined via alpha-linkages.


A disaccharide consisting of beta-D-galactopyranose having a D-galactopyranosyl residue attached at the 4-position via an alpha-linkage.


An N-acetyl-beta-D-glycosaminyl glycopeptide consisting of an N-acetyl-beta-D-glycosaminyl-(1->4)-N-acetylmuramoyl moiety attached to the amino terminus of the dipeptide L-alanyl-D-isoglutamine.


name: E. coli strain F653 LPS core oligosaccharide 1

description: A branched twelve-membered oligosaccharide phosphate consisting of one galactose residue, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and three glucosamine residues, one of which is at the reducing end. The unit constitutes one of the two core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain F653.


A galactose phosphate consisting of N-acetyl-D-galactosamine having a choline phosphate group at the 6-position.


name: E. coli strain F2513 LPS core oligosaccharide

description: A branched twelve-membered oligosaccharide phosphate consisting of three galactose residues, two glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and two glucosamine residues, one of which is at the reducing end. The unit constitutes one of the two core oligosaccharide structures of enterobacterial lipopolysaccharide obtained from E. coli strain F470.


A branched trisaccharide consisting of D-abequose, D-galactose and D-mannose residues joined via alpha-linkages with mannose at the reducing end.


name: Salmonella enterica sv. Minnesota LPS core oligosaccharide

description: A branched twelve-membered oligosaccharide phosphate consisting of two galactose residues, three glucose residues, two 3-deoxy-D-manno-oct-2-ulosonic acid residues, three L-glycero-alpha-D-manno-heptose residues and two glucosamine residues, one of which is at the reducing end. The unit constitutes the core oligosaccharide structure of enterobacterial lipopolysaccharide obtained from Salmonella enterica sv. Minnesota.


A branched amino pentasaccharide comprising an acetylated glucosamine residue, a glucose residue and three rhamnose residues, one of which is at the reducing end.


An amino octasaccharide comprising two acetylated glucosamine residues and six alpha-L-rhamnose residues, one of which is at the reducing end.


An amino tetrasaccharide comprising an acetylated glucosamine residue and three alpha-L-rhamnose residues, one of which is at the reducing end.


name: pneumococcal strain CSR SCS2 polysaccharide

description: A bacterial polysaccharide phosphate composed of a backbone of tetrasaccharide-ribitol repeating units that are linked to each other by a phosphodiester linkage between position 5 of a D-ribitol residue and position 6 of a beta-D-glucopyranosyl residue.


prostaglandin carboxylic acid anion

A prostanoid anion obtained by deprotonation of the carboxy group of any prostaglandin.


An amino disaccharide consisting of N-(2-methoxypropionyl)kansosamine linked via a glycosidic bond (of unspecified configuration) to O-3 of L-fucose.


ROTOXAMINE

The (R)- (inactive) enantiomer of carbinoxamine.


The (S)- (active) enantiomer of carbinoxamine.


MEPHEDRONE

An aromatic ketone that is propiophenone substituted at C-4 and at C-beta with methyl and methylamino groups respectively. It is a synthetic stimulant and entactogen drug of the amphetamine and cathinone classes.


DEALKYLATED DIETHYLPROPION

Propiophenone substituted at the beta-carbon by an amino group.


monoamine alkaloid

An alkaloid that contains one amino group connected to an aromatic ring by a two-carbon chain. All monoamines are derived from aromatic amino acids like phenylalanine, tyrosine, tryptophan, and the thyroid hormones by the action of aromatic amino acid decarboxylase enzymes.


(R)-carisoprodol

The (R)-enantiomer of carisoprodol.


An aromatic ketone that is propiophenone bearing a methyl group at C-4.


(S)-carisoprodol

The (S)-enantiomer of carisoprodol.


methylammonium

The conjugate acid of methylamine; major species at pH 7.3.


Brucella sp. O-PS M-antigen

A polysaccharide-derived antigen composed of a backbone of penta-(4,6-dideoxy-4-formamido-D-mannopyranose) repeating units that are joined to each other via alpha-(1->2)-linkages.


famoxadone

A racemate composed of equimolar amounts of (R)- and (S)-famoxadone. It prevents spore germination and mycelial growth of sensitive fungi, and is used in agriculture for the control of various fungal diseases. Only the (S)- enantiomer is active.


Brucella sp. O-PS A-antigen

An aminoglycan composed of repeating 4,6-dideoxy-4-formamido-D-mannopyranose units joined by alpha-(1->2)-linkages.


cefditoren

A broad spectrum, third-generation cephalosporin antibiotic with (Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. Generally administered as its orally absorbed pivaloyloxymethyl ester prodrug, it is used for the treatment of mild to moderate infections caused by susceptible strains of microorganisms in acute bacterial exacerbation of chronic bronchitis, community-acquired pneumonia, pharyngitis/tonsillitis, and uncomplicated skin and skin-structure infections.


A disaccharide comprising a D-glycero-alpha-D-talo-oct-2-ulosonyl unit in (2->4) linkage with 3-deoxy-alpha-D-manno-oct-2-ulopyranonosonic acid; it forms part of the core structure of bacterial lipopolysaccharides.


The L-glutamide of 5,6,7,8-tetrahydromethanopterin.


L-cysteine substituted at sulfur by a 2-boronoethyl group.


A disaccharide comprising a 3-deoxy-alpha-D-manno-oct-2-ulopyranonosonyl unit in (2->4) linkage with D-glycero-alpha-D-talo-oct-2-ulosonic acid; it is found in the core structure of bacterial lipopolysaccharides.


alpha-D-Ko

An octose sugar sometimes found in Gram-negative bacteria as a lipopolysaccharide constituent, in combination with its 3-deoxy derivative (alpha-D-Kdo).


The conjugate acid of cefepime.


Conjugate base of 2-hydroxy-2H-chromene-2-carboxylic acid.


chromenemonocarboxylic acid

A chromene compound having a single carboxylic acid function at an unspecified position.


Conjugate base of (3E)-4-(2-hydroxyphenyl)-2-oxobut-3-enoic acid.


A pyrimidinecarboxamide having the amido groups at the 4- and 6-positions and pyridin-3-ylmethyl as the amide N-substituents.


A pyruvic acid derivative having a 2-hydroxybenzylidene group attached at the 3-position and E-stereochemistry.


An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having an alpha-L-rhamnosyl residue attached at the 3-position.


An L-tryptophan derivative that is the 7-(3,3-dimethylallyl) derivative of L-tryptophan.


An amino disaccharide consisting of N-acetyl-alpha-D-galactosamine having an N-acetyl-D-galactosaminyl residue attached at the 4-position via a beta-linkage. Important epitope forming part of the O-polysaccharides of some Gram-negative bacteria.


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


hexacarboxylic acid

An oxoacid containing six carboxy groups.


hexacarboxylic acid anion

A carboxylic acid anion that is the conjugate base of hexacarboxylic acid.


scalarin

A scalarane sesterterpenoid lactone, a metabolite of marine sponges of the family Thorectidae (order dictyoceratida).


A monosaccharide derivative that is beta-D-glucopyranose having a methyl group at the 3-position and a 1-carboxyethylidene group masking the 4-and 6-positions.


A monosaccharide derivative that is the 2,4-di-O-methyl derivative of alpha-L-fucopyranose.


A disaccharide derivative consisting of 2-O-methyl-alpha-L-fucopyranose having a 4-O-methyl-alpha-L-rhamnopyranosyl residue attached at the 4-position.


glycosylfucose

A disaccharide having fucose at the reducing end with a glycosyl residue attached at an unspecified position via a glycosidic bond.


scalarane

A hypothetical sesterterpene skeleton with a structure based on that of a pentamethyl-D-homoandrostane and the basis for the family of scalarane sesterterpenoids.


A monosaccharide derivative that is the 4-O-methyl derivative of alpha-L-rhamnopyranose.


An amino pentasaccharide that is the core polysaccharide sequence for the O-antigen of the Gram-negative bacterium Shigella flexneri.


scalarane sesterterpenoid

A class of sesterterpenoids based on the structure of the hypothetical sesterterpene scalarane.


A glycosylrhamnose derivative consisting of alpha-L-rhamnopyranose having a 4-O-acetyl-2,3-di-O-methyl-alpha-L-galactopyranosyl residue attached at the 3-position.


A monosaccharide derivative  that is the 4-O-acetyl-2,3-di-O-methyl derivative of alpha-L-fucopyranose.


The branched decasaccharide formed when two molecules of the Shigella flexneri O-antigen core pentasaccharide alpha-L-Rha-(1->2)-alpha-L-Rha-(1->3)-[alpha-D-Glc-(1->4)]-alpha-L-Rha-(1->3)-beta-D-GlcNAc are joined end to end via beta-(1->2) linkages.


A glycopeptidolipid antigen from clinically prominent members of the Mycobacterium avium serocomplex.


The pentadecasaccharide formed when three molecules of the Shigella flexneri O-antigen core pentasaccharide alpha-L-Rha-(1->2)-alpha-L-Rha-(1->3)-[alpha-D-Glc-(1->4)]-alpha-L-Rha-(1->3)-beta-D-GlcNAc are joined end to end via beta-(1->2) linkages.


A branched tetrasaccharide consisting of an alpha-L-Rha-(1->3)-alpha-L-Rha-(1->3)-beta-D-GlcNAc trisaccharide chain, to the central rhamnose residue is also linked alpha(1->4) a D-glucose residue. Derived from the Shigella liposaccharide O-antigen, it has antigenic properties.


An amino disaccharide consisting of beta-D-glucopyranuronic acid having a 4-acetamido-4,6-dideoxy-2-O-methyl-alpha-L-galactopyranosyl attached at the 4-position.


A branched amino pentasaccharide consisting of a tetrasaccharide chain of alpha-D-glucose, alpha-L-rhamnose, N-acetyl-beta-D-glucosamine and alpha-L-rhamnose residues linked sequentially (1->4), (1->3) and (1->2), to the non-reducing rhamnose residue of which is also linked (1->3) a further alpha-L-rhamnose residue. Derived from the Shigella liposaccharide O-antigen, it shows antigenic properties.


Ac-DEVD-CHO

A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7.


A glycosylphosphatidylinositol compound consisting of D-mannopyranose joined to 1-phosphatidyl-1D-myo-inositol via an alpha-(1->2)-linkage.


An amino trisaccharide consisting of an N-acetyl-D-glucosamine flanked by two D-galactose residues in a linear sequence.


A linear amino trisaccharide consisting of  N-acetyl-alpha-glucosamine, alpha-glycero-alpha-D-manno-heptose and alpha-glucosamine residues linked (1->2) and (1->6) respectively.


glycophytoceramide

A phytoceramide having at least one glycosyl group attached to either of its hydroxy groups.


A glycosyl group consisting of two L-glycero-alpha-D-manno-heptopyranosyl residues joined by a (1->7)-linkage.


The anion resulting from the removal of a proton from the carboxylic acid group of cephalexin.


An amino disaccharide consisting of an alpha-D-glucose residue having an N-acetyl-alpha-D-glucosaminyl residue attached at the 2-position.


name: P. mirabilis O29 O-specific polysaccharide

description: A polysaccharide-derived antigen composed of a backbone of branched tetrasaccharide-derivative repeating units that are joined to each other via beta-(1->3)-linkages.


A linear tetrasaccharide derivative consisting of beta-D-glucose, N-acetyl-alpha-D-fucosamine, N-acetyl-alpha-L-quinovosamine and N-acetyl-beta-D-glucosamine residues linked sequentially (1->6), (1->3) and (1->3). It forms an important epitope of the Proteus vulgaris O-specific polysaccharide.


name: P. mirabilis O24 O-specific polysaccharide