tribenuron

An N-sulfonylurea that is N-(2-carboxybenzenesulfonyl)urea bearing additional methyl and 4-methoxy-6-methyl-1,3,5-triazin-2-yl substituents at position N3. A foliar acting, post-emergence herbicide used to control broad-leaved weeds in cereals, normally used as the methyl variant.


(R)-3,5-bisphosphomevalonic acid

A carboxyalkyl phosphate that is mevalonic acid phosphorylated at positions 3 and 5.


monofluorobenzenes

Any member of the class of fluorobenzenes containing a mono- or poly-substituted benzene ring carrying a single fluorine substitutent.


trifluorobenzene

Any member of the class of fluorobenzenes carrying three fluorine substituents at unspecified positions.


The pentaanion of 2-carboxytetracosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.


The pentaanion of 2-carboxyhexacosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-(methylthio)propionic acid.


trilinoleoyl 2-monolysocardiolipin(2-)

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


tetralinoleoyl cardiolipin(2-)

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


A cardiolipin 72:7(2-) obtained by deprotonation of the phosphate OH groups of 1,1',2-trilinoleoyl-2'-oleoyl cardiolipin; major species at pH 7.3.


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


N(tele)-phospho-L-histidine residue

An alpha-amino-acid residue derived from substitution of a phospho group on the tele N atom of an L-histidine residue.


N(tele)-phosphonato-L-histidine residue

An anionic amino-acid residue formed by loss of both protons from the phospho group of N(tele)-phospho-L-histidine residue, the principal form present at pH 7.3.


(R)-eberconazole

1-(2,4-dichloro-10,11-dihydrodibenzo[a,d][7]annulen-5-yl)imidazole that is the (R)-enantiomer of eberconazole.


(S)-eberconazole

1-(2,4-dichloro-10,11-dihydrodibenzo[a,d][7]annulen-5-yl)imidazole that is the (S)-enantiomer of eberconazole.


eberconazole nitrate

A racemate comprising equimolar amounts of (R)- and (S)-eberconazole nitrate. Used for topical treatment of superficial mycoses.


A member of the class of 7-hydroxyisoflavones in which isoflavone is substituted by hydroxy groups at the 5, 7, and 3' positions, and by a methoxy group at the 4' position.


L-(R)-iprovalicarb

The stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1R)-1-(p-tolyl)ethylamine.


L-(S)-iprovalicarb

The stereoisomer of isopropyl (3-methyl-1-{[1-(4-methylphenyl)ethyl]amino}-1-oxobutan-2-yl)carbamate resulting from the formal condensation of L-valine N(alpha)-isopropyl carbamate with (1S)-1-(p-tolyl)ethylamine.


A carbamate ester that is valinamide in which one of the hydrogens attached to the amide nitrogen is replaced by a 1-(p-tolyl)ethyl group and the alpha-amino group has been converted to the corresponding isopropyl carbamate.


FLUAZIFOP-P

A 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid that has R configuration. It is the active enantiomer of the herbicide fluazifop and is the major metabolite of fluazifop-P-butyl.


A pyrimidine 2'-deoxyribonucleoside 5'-triphosphate that is 2'deoxycytidine-5'-triphosphate substituted by a hydroxymethyl group at position 5.


(S)-fluazifop

The (S)-enantiomer of 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid. It is the inactive enantiomer of the racemic herbicide fluazifop.


benthiavalicarb

A carboxamide resulting from the formal condensation of the carboxy group of L-valine with (1R)-1-(6-fluoro-1,3-benzothiazol-2-yl)ethylamine and replacement of one of the hydrogens attached to the alpha-amino group by a carboxy group. It is the active form of the fungicide benthiavalicarb isopropyl (in which the carbamic acid group has been converted to the corresponding isopropyl ester).


(S)-fenticonazole

A 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole that is the (S)-enantiomer of fenticonazole.


(R)-fenticonazole

A 1-[2-(2,4-dichlorophenyl)-2-{[4-(phenylsulfanyl)benzyl]oxy}ethyl]imidazole that is the (R)-enantiomer of fenticonazole.


A dihydropyridine that is 2,4,6-trimethyl-1,4-dihydropyridine substituted by ethoxycarbonyl groups at positions 3 and 5.


valifenalate

A diastereoisomeric mixture of L-(R)- and L-(S)-valifenalate. An anti-peronosporic fungicide, it is used to control mildew in many crops including grapes, potatoes and tomatoes.


A carboxamide resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)valine with the amino group of methyl 3-amino-3-(4-chlorophenyl)propanoate.


L-(R)-valifenalate

A methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3R)-3-amino-3-(4-chlorophenyl)propanoate.


L-(S)-valifenalate

A methyl 3-(4-chlorophenyl)-3-{[N-(isopropoxycarbonyl)valyl]amino}propanoate resulting from the formal condensation of the carboxylic acid group of N-(isopropoxycarbonyl)-L-valine with the amino group of methyl (3S)-3-amino-3-(4-chlorophenyl)propanoate.


(R)-mandipropamid

A 2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide that has R configuration.


(S)-mandipropamid

A 2-(4-chlorophenyl)-N-{2-[3-methoxy-4-(prop-2-yn-1-yloxy)phenyl]ethyl}-2-(prop-2-yn-1-yloxy)acetamide that has S configuration.


B 581

A dipeptide obtained from the tetrapeptide Cys-Val-Phe-Met by reduction of the amide carbonyl groups of the Cys and Val residues.


fatty acyl-AMP

An acyl-AMP that results from the formal condensation of the phosphoryl group of AMP with the carboxyl group of any fatty acid.


fatty acyl-AMP(1-)

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


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


O-adenyl-L-tyrosine(1-) residue

An alpha-amino-acid residue anion obtained by removal of a proton form the phosphate group of O-adenyl-L-tyrosine residue; major species at pH 7.3.


O-adenyl-L-tyrosine residue

An alpha-amino-acid residue derived from O-adenyl-L-tyrosine.


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


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


N-acylammonia

A carboxamide obtained by the formal condensation of the carboxy group of any carboxylic acid with ammonia.


tea tree oil

An essential oil consisting of approximately one hundred hydrocarbon and terpenoid components obtained by steam distillation from the leaves and terminal branchlets of the tea tree, Melaleuca alternifolia; the yield of oil is typically 1-2% of wet plant material weight. The main components are 4-terpineol (40%), gamma-terpinene (23%), alpha-terpinene (10%), 1,8-cineole (5%), terpinolene (3%), and p-cymene (3%).


essential oil

A mixture that is a concentrated hydrophobic liquid containing volatile aroma compounds obtained from plants, commonly by distillation (particularly steam distillation), but also by solvent extraction, or by crushing of seeds or fruits in a press.


A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol.


(R)-dinoseb

The (R)-enantiomer of 2-(butan-2-yl)-4,6-dinitrophenol.


alkylguanidinium biocide

Any guanidinium salt that has antimicrobial properties.


guanidinium salt

An organic salt in which the cation has the structure (RN)2C=N(+)R2.


(S)-dinoseb

The (S)-enantiomer of 2-(butan-2-yl)-4,6-dinitrophenol.


A member of the class of 1,3-thiazoles that is 2-[2-(pentan-3-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4.


(R)-dimethenamid

A 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2R)-1-methoxypropan-2-yl]acetamide that has R configuration. It is the inactive enantiomer; its (active) enantiomer is the herbicide known as dimethenamid-P; the racemate is the herbicide dimethenamid.


prazosin

A member of the class of  piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively.


dimethenamid-P

The (S)-enantiomer of 2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-[(2S)-1-methoxypropan-2-yl]acetamide. It is the active enantiomer of dimethenamid, a herbicide applied to the soil to control various broad-leaved weeds and grasses.


juvenile hormone I

A member of the juvenile hormone family of compounds that is the methyl ester of methyl (2E,6E,10R,11S)-10,11-epoxy-7-ethyl-3,11-dimethyl-2,6-tridecanoic acid.


juvenile hormone III bisepoxide

A juvenile hormone that is methyl farnesoate in which the 6,7 and 10,11-double bonds have been epoxidised.


juvenile hormone III skipped bisepoxide

A juvenile hormone that is methyl farnesoate in which the 2,3 and 10,11-double bonds have been epoxidised. Found in the stink bug, Plautia stali.


A member of the class of 1,3-thiazoles that is 2-[2-(propan-2-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4.


(R)-metolachlor

The (R)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.


S-METOLACHLOR

The (S)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide.


A member of the class of 1,3-thiazoles that is 2-[2-(butan-2-ylidene)hydrazino]-1,3-thiazole carrying an additional 4-chlorophenyl substituent at position 4.


3,4,5-trimethoxybenzyl isothiocyanate

A member of the class of isothiocyanates in which the substituent attached to nitrogen is specified as 3,4,5-trimethoxybenzyl.


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


A monocarboxylic acid that is oxoacetic acid substituted by a (2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino group at position 2.


(R)-metolachlor OXA

The (R)-enantiomer of  [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid.


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


(S)-metolachlor OXA

The (S)-enantiomer of  [(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino](oxo)acetic acid.


luminespib

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.


isotianil

A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3,4-dichloro-1,2-thiazole-5-carboxylic acid with o-cyanoaniline. It is a fungicide used for the control of rice blast.


(R)-bromacil

The (R)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione.


(S)-bromacil

The (S)-enantiomer of 5-bromo-3-(butan-2-yl)-6-methylpyrimidine-2,4(1H,3H)-dione.


lysidine monophosphate

A pyrimidine ribonucleoside 5'-monophosphate that is CMP in which the 2-keto group on the cytosine ring is replaced by an epsilon-L-lysyl residue.


lysidine monophosphate(1-)

An organophosphate oxoanion that is CMP(2-) in which the 2-keto group on the cytosine ring is substituted by an epsilon-L-lysyl residue. Major structure at pH 7.3 (according to Marvin v. 6.2.0).


pyrimorph

An enamide resulting from the formal condensation of 3-(p-tert-butylphenyl)-3-(6-chloropyridin-2-yl)acrylic acid with the amino group of morpholine. A fungicide developed in China, it shows high antifungal activity against diseases caused by Phytophthora infestans, Phytophthora capsici, Rhizoctonia solani, Peronophythora litchi, and Pseudoperonospora cubensis.


lysine monophosphate residue

A nucleotide residue derived from lysine monophosphate.


name: lysidine monophosphate zwitterion residue

description: A zwitterionic group that is the major structure at pH 7.3 of lysidine monophosphate residue (according to Marvin v. 6.2.0).


ISOCONAZOLE

A member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1.


(S)-isoconazole

A 1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of isoconazole.


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


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


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


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


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


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


An organosulfonic acid that is 2-oxoethanesulfonic acid substituted by a (2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino group at postion 2.


PROCOCENE I

A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2.


(R)-metolachlor ESA

The (R)-enantiomer of  2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid.


(S)-metolachlor ESA

The (S)-enantiomer of  2-[(2-ethyl-6-methylphenyl)(1-methoxypropan-2-yl)amino]-2-oxoethanesulfonic acid.


N-terminal N-acetyl-L-alanine residue

An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-alanine.


(S)-sertaconazole

A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (S)-enantiomer of sertaconazole.


ARASERTACONAZOLE

A 1-{2-[(7-chloro-1-benzothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the active R-enantiomer of sertaconazole and is used (as its nitrate salt) for treatment of vulvovaginal candidiasis. The racemate itself is also used as a broad-spectrum antifungal drug.


sertaconazole nitrate

A racemate comprising equimolar amounts of (R)- and (S)-sertaconazole nitrate. A broad spectrum antifungal with added antipruritic and anti-inflammatory activity used for treatment of various skin infections.


(R)-fenarimol

A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has R configuration.


(S)-fenarimol

A (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol that has S configuration.


N-terminal N-acetyl-L-serine residue

An N-terminal alpha-amino-acid residue derived from N-terminal N-acetyl-L-serine.


(R)-nuarimol

A (2-chlorophenyl)(4-fluorophenyl)pyrimidin-5-ylmethanol that has R configuration.


(S)-nuarimol

A (2-chlorophenyl)(4-fluorophenyl)pyrimidin-5-ylmethanol that has S configuration.


A synthetic 25-membered heterodetic cyclic peptide consisting of a 14-membered linear component attached to an 11-membered cyclic portion. A CK2 inhibitor with potential antineoplastic activity.


N(5)-alkyl-L-glutamine residue

An alpha-amino-acid residue derived from any N(5)-alkyl-L-glutamine.


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


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


A monothioglycerolipid in which the parent monothioglycerol is esterified on O-1 and O-2 by stearoyl groups and on S-3 by a 2-[(2-{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl group


monothioglycerolipid

Any member of the group of lipids containing a common monothioglycerol backbone to which at least one fatty acyl group is esterified.


A glycophytoceramide having an alpha-D-Gal-(1->2)alpha-DGal glycosyl group at the O-1 position and a hexacosanoyl group attached to the nitrogen.


tetradecasphingosine

A sphingoid that is the C14-analogue of sphingosine.


(R)-flutriafol

A 1-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanol that has R configuration.


tetradecaphytosphingosine

A sphingoid that is the C14-analogue of phytosphingosine.


(R)-hexaconazole

A 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol that has R configuration.


(S)-hexaconazole

A 2-(2,4-dichlorophenyl)-1-(1H-1,2,4-triazol-1-yl)hexan-2-ol that has S configuration.


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


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


2-aminophenylglyoxylic acid

A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehydic hydrogen is replaced by a 2-aminophenyl group.


A phosphatidylcholine 32:2 in which both phosphatidyl acyl groups are specified as palmitoleoyl.


A phosphatidylcholine 36:0 in which both phosphatidyl acyl groups are specified as stearoyl (octadecanoyl).


(R)-climbazole

The (R)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one.


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


(S)-climbazole

The (S)-enantiomer of 1-(4-chlorophenoxy)-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-one.


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


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

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


primary alkymercury(1+)

Any alkylmercury compound in which a primary alkyl group is attached to a positively charged mercury atom.


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

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


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

A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any long-chain 2,3-trans-enoyl CoA (long-chain = chain length between C13 and C22); major species at pH 7.3.


very long-chain 2,3-trans-enoyl CoA(4-)

A 2,3-trans-enoyl CoA(4-) obtained by deprotonation of the phosphate and diphosphate OH groups of any very long-chain 2,3-trans-enoyl CoA (very long-chain = chain length greater than C22); major species at pH 7.3.


(R)-myclobutanil

A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has R configuration.


(S)-myclobutanil

A 2-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)hexanenitrile that has S configuration.


VINCLOZOLIN

A member of the class of oxazolidinones that is 5-ethenyl-5-methyl-2,4-oxazolidinedione in which the imide hydrogen is replaced by a 3,5-dichlorophenyl group.


(R)-vinclozolin

A 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione that is the (R)-enantiomer of vinclozolin.


(S)-vinclozolin

A 3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-2,4-oxazolidinedione that is the (S)-enantiomer of vinclozolin.


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


A highly branched amino oligosaccharide consisting of a D-GlcNAc residue at the reducing end with a beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-L-Fuc-(1->4)-[beta-D-Gal-(1->3)]-beta-D-NAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc nonasaccharide moiety attached via a beta-(1->4)-linkage and an L-Fuc residue attached via an alpha-(1->3)-linkage.


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


ferroheme c di-L-cysteine(2-) residue

An organic anionic group that is ferroheme c(2-)  bound to cytochrome c by two L-cysteine residues; major species at pH 7.3.


A highly branched amino oligosaccharide consisting of a D-GlcNAc residue at the reducing end with a alpha-L-Fuc-(1->4)-[beta-D-Gal-(1->3)]-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-L-Fuc-(1->4)-[beta-D-Gal-(1->3)]-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-[beta-D-Xyl-(1->2)]-beta-D-Man-(1->4)-beta-D-GlcNAc undecasaccharide moiety attached via a beta-(1->4)-linkage and an L-Fuc residue attached via an alpha-(1->3)-linkage.


(S)-imazamox

The (S)-enantiomer of 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-(methoxymethyl)nicotinic acid.


(R)-imazamox

The (R)-enantiomer of 5-(methoxymethyl)-2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]pyridine-3-carboxylic acid.


validamycins

Any of the inositol-derived beta-D-glucoside antibiotics produced by Streptomyces hygroscopicus.


A 26-oxo steroid resulting from the oxidation of 3-oxocholest-4-en-26-ol to the corresponding aldehyde.


(10Z,13Z,16Z)-docosatrienoic acid

A long-chain omega-6 fatty acid that is docosanoic acid having three double bonds located at positions 10, 13 and 16 (the (10Z,13Z,16Z-geoisomer).


The (2R,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol.


The (2S,3S)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol.


A ceramide phosphoethanolamine in which the sphingoid component is specified as hexadecasphinganine.


The (2S,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol.


The (2R,3R)-stereoisomer of 2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol.


A ceramide phosphoethanolamine in which the sphingoid component is specified as icosasphinganine.


A ceramide phosphoethanolamine in which the sphingoid component is specified as icosaphytosphingosine.


An  epoxide that is oxirane substituted by a 2-chlorophenyl, 4-fluorophenyl and a 1H-1,2,4-triazol-1-ylmethyl groups.


The (2S,3R)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole.


EPOXICONAZOLE

The (2R,3S)-stereoisomer of 1-{[3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole.


A ceramide phosphoethanolamine in which the sphingoid component is specified as tetradecasphinganine.


A ceramide phosphoethanolamine in which the sphingoid component is specified as tetradecasphingosine.


A ceramide phosphoethanolamine in which the sphingoid component is specified as 15-methylhexadecasphinganine.


olaparib

A member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino group of N-(cyclpropylcarbonyl)piperazine; used to treat advanced ovarian cancer.


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


(S)-ethofumesate

The (S)-enantiomer of  2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate.


(R)-ethofumesate

The (R)-enantiomer of  2-ethoxy-3,3-dimethyl-2,3-dihydro-1-benzofuran-5-yl methanesulfonate.


(R)-napropamide

The (R)-enantiomer of N,N-diethyl-2-(naphthalen-1-yloxy)propanamide.


(S)-napropamide

The (S)-enantiomer of N,N-diethyl-2-(naphthalen-1-yloxy)propanamide.


A 1-acyl-2-octadecanoyl-sn-glycerol-3-phosphate in which the 1-acyl group is also octadecanoyl.


A 1-acyl-2-oleoyl-sn-glycerol-3-phosphate(2-) in which the 1-acyl group is also oleoyl.


3-oxo-23,24-bisnorchol-4-en-22-oic acid

A steroid acid that is 23,24-bisnor-chol-4-en-22-oic acid bearing an additional oxo substituent at position 3.


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


A 1,2-diacyl-sn-glycerol 3-phosphate in which both phosphatidyl acyl groups are specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl.


prednisolone

A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.


(S)-tebuconazole

The (S)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol.


(R)-tebuconazole

The (R)-enantiomer of 1-(4-chlorophenyl)-4,4-dimethyl-3-(1H-1,2,4-triazol-1-ylmethyl)pentan-3-ol.


An icosanoid that is (5Z,9E,14Z)-icosa-5,9,14-trienoic acid carrying four hydroxy substituents at positions 8, 11, 12 and 20. An intermediary metabolite from the 12(R)-lipoxygenase pathway.


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


galaxolide

An organic heterotricyclic compound that is 1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene substituted by methyl groups at positions 4, 6, 6, 7, 8 and 8 respectively. It is a synthetic musk used as a fragrance in cosmetics.


A 1,2-diacyl-sn-glycerol 3-phosphate in which the 1- and 2-acyl substituent are specified as palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.


(R)-secbumeton

The (R)-enantiomer of N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.


(S)-secbumeton

The (S)-enantiomer of N-(butan-2-yl)-N'-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.


A diamino-1,3,5-triazine that is N-(butan-2-yl)-N'-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6.


(R)-sebuthylazine

The (R)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine.


(S)-sebuthylazine

The (S)-enantiomer of N-(butan-2-yl)-6-chloro-N'-ethyl-1,3,5-triazine-2,4-diamine.


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


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


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


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


An oxo seco-steroid that is 9-oxo-9,10-seco-23,24-bisnorchola-1,3,5(10)-trien-22-oic acid bearing an additional phenolic hydroxy substituent at position 3.


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


N-hexanoylsphingosine 1-phosphate

A ceramide 1-phosphate in which the ceramide N-acyl group is specified as hexanoyl.


A tripeptide derived from methoxysuccinyl-Ala-Ala-Pro-Ala by conversion of the terminal carboxy group to the corresponding chloromethyl ketone.


A tripeptide derived from methoxysuccinyl-Ala-Ala-Pro-Val by conversion of the terminal carboxy group to the corresponding chloromethyl ketone.


paliperidone

A member of the class of pyridopyrimidines that is 9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl group at position 2.


(S)-paliperidone

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (S)-enantiomer of paliperidone.


(R)-paliperidone

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one that is the (R)-enantiomer of paliperidone.


paliperidone palmitate

A racemate comprising equimolar amounts of (R)- and (S)-paliperidone palmitate. A long-acting injectable formulation of paliperidone (the major active metabolite of risperidone) that is used for treatment of schizophrenia.


(S)-paliperidone palmitate

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (S)-enantiomer of paliperidone palmitate.


(R)-paliperidone palmitate

A 3-{2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-9-yl hexadecanoate that is the (R)-enantiomer of paliperidone palmitate.


proteinogenic amino acid derivative

Any derivative of a proteinogenic amino acid resulting from reaction at an amino group, carboxy group, or a side-chain functional group, or from the replacement of any hydrogen by a heteroatom.


non-proteinogenic amino acid derivative

Any derivative of a non-proteinogenic amino acid resulting from reaction at an amino group or carboxy group, or from the replacement of any hydrogen by a heteroatom.


proteinogenic amino acid

Any of the 23 alpha-amino acids that are precursors to proteins, and are incorporated into proteins during translation. The group includes the 20 amino acids encoded by the nuclear genes of eukaryotes together with selenocysteine, pyrrolysine, and N-formylmethionine. Apart from glycine, which is non-chiral, all have L configuration.


fluorotelomer

Any organofluorine compound that is a oligomer or telomer synthesised by telomerization (a chain transfer reaction to produce an oligomer of a limited size). They are generally used in fire-fighting foams, leather protectants, food packaging and stain resistants.


The (10S,11S)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.


The (10R,11R)-enantiomer of 10,11-trans-dihydroxy-10,11-dihydrocarbamazepine.


A  racemate composed of equimolar amounts of (10S,11S)- and (10R,11R)-dihydroxy-10,11-dihydrocarbamazepine.


morphinane-like compound

Any organonitrogen heterocyclic compound based on a morphinan skeleton. These are synthetic or semi-synthetic compounds that resemble the  morphinane (opioid) alkaloids in their pharmacological effects.


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


prednisone

A synthetic glucocorticoid drug that is particularly effective as an immunosuppressant, and affects virtually all of the immune system. Prednisone is a prodrug that is converted by the liver into prednisolone (a beta-hydroxy group instead of the oxo group at position 11), which is the active drug and also a steroid.


non-proteinogenic amino acid

Any amino-acid that is not naturally encoded in the genetic code of any organism.


amino acid derivative

Any derivative of an amino acid resulting from reaction at an amino group, carboxy group, side-chain functional group, or from the replacement of any hydrogen by a heteroatom. The definition normally excludes peptides containing amino acid residues.


non-proteinogenic L-alpha-amino acid

Any L-alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.


pyrisoxazole

A diastereoisomeric mixture of (3R,5S)- and (3R,5R)-pyrisoxazole. A novel isomeric fungicide primarily used for control of control tomato botrytis and also for fungal diseases of wheat and other crops.


L-cysteine derivative

A proteinogenic amino acid derivative resulting from the formal reaction of L-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of L-cysteine by a heteroatom.


A member of the class of oxazolidines that is 2,3-dimethyl-1,2-oxazolidine carrying additional 3-pyridyl and  4-chlorophenyl substituents at positions 3 and 5 respectively.


A 3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine that is the (3R,5R)-diastereomer of pyrisoxazole


A 3-[5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-3-yl]pyridine that is the (3R,5S)-diastereomer of pyrisoxazole.


DNA polyanion

An ionic polymer obtained by global deprotonation of the phosphate OH groups of any DNA. Major structure at pH 7.3


(S)-enilconazole

A 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole that is the (S)-enantiomer of enilconazole


(R)-enilconazole

A 1-[2-(allyloxy)-2-(2,4-dichlorophenyl)ethyl]imidazole that is the (R)-enantiomer of enilconazole.


oxpoconazole

A racemate comprising equimolar amounts of (R)- and (S)-oxpoconazole. Used (as its fumarate salt) to control a variety of fungal diseases including Botrytis, Sclerotinia and Monilinia spp.


peptidylproline (omega=0) residue

The organodiyl group derived from peptidylproline (omega=0).


peptidylproline (omega=180) residue

The organodiyl group derived from peptidylproline (omega=180)


D-cysteine derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-cysteine at the amino group, carboxy group, or thiol group, or from the replacement of any hydrogen of D-cysteine by a heteroatom.


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


A member of the class of oxazolidines that is 2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidine in which the amino hydrogen is replaced by an (imidazol-1-yl)carbonyl group.


(S)-oxpoconazole

A {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone that is the (S)-enantiomer of oxpoconazole.


(S)-(-)-pefurazoate

A pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate that is the (S)-enantiomer of pefurazoate.


(R)-(+)-pefurazoate

A pent-4-en-1-yl 2-[(2-furylmethyl)(imidazol-1-ylcarbonyl)amino]butanoate that is the (R)-enantiomer of pefurazoate.


N-tetracosadienoylsphingosine

An acylsphingosine in which the acyl moiety contains 24 carbons and 2 double bonds.


An organic heteropentacyclic compound that is the 8'-O-beta-D-glucoside of dalcochinin.


A sphingomyelin in which the total number of carbons in the fatty acyl group is 22 with 1 double bond.


BITERTANOL

A member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O-1 by a biphenyl-4-yl group.


A sphingomyelin in which the total number of carbons in the fatty acyl group is 24 with 2 double bonds.


A sphingomyelin d18:1 in which the total number of carbons in the fatty acyl group is 25 with 1 double bond.


A 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1R,2R)-diastereomer of bitertanol.


A 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1S,2S)-diastereomer of bitertanol.


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


A 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1S,2R)-diastereomer of bitertanol.


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


A 26-hydroxycholest-4-en-3-one in which the 25-position has S-configuration.


A 26-hydroxycholest-4-en-3-one in which the 25-position has R-configuration.


A 3-ketocholest-4-en-26-al in which the 25-position has R-configuration.


A 3-ketocholest-4-en-26-al in which the 25-position has S-configuration.


(R)-lipoyl-AMP

A lipoyl-AMP in which the lipoyl moiety has (R)-configuration.


An androstanoid that is androst-5-ene bearing two oxo substituents at positions 3 and 17.


N-acyl-D-galactosylsphingosine

A sphingosine-based sphingolipid that is any N-acylsphingosine substituted at the O-1 position by a D-galactosyl residue.


N-stearoyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as stearoyl (octadecanoyl).


N-behenoyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as behenoyl (docosanoyl).


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as 2-hydroxybehenoyl (2-hydroxydocosanoyl).


N-tricosanoyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as tricosanoyl


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as 2-hydroxytricosanoyl.


N-lignoceroyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as lignoceroyl (tetracosanoyl).


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is specified as 2-hydroxylignoceroyl.


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


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


cationic sphingoid

An organic cation obtained by protonation of the amino function of any sphingoid


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


N-tricosenoyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 23 carbons and 1 double bond.


N-tetracosenoyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 24 carbons and 1 double bond.


A sphingomyelin 41:1 in which the N-acyl group and sphingoid base are specified as tricosanoyl and sphingosine respectively.


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 24 carbons, 1 double bond and a hydroxy group at C2.


torvanol A(1-)

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


torvanol A hydrogen sulfate

A methoxyisoflavan that is isoflavan substituted by a hydroxy group at position 2', methoxy groups at positions 6 and 3', a 2-carboxyethenyl group at position 5' and a sulfoxy group at position 4.


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 24 carbons and 2 double bonds.


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 24 carbons, 2 double bonds and a hydroxyl at C2.


N-hexacosenoyl-D-galactosylsphingosine

An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is  composed of 26 carbons and 1 double bond.


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 26 carbons, 1 double bond and a hydroxy group at C2.


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 25 carbons  and a hydroxy group at C2.


An N-acyl-D-galactosylsphingosine in which the ceramide N-acyl group is composed of 25 carbons, 1 double bond and a hydroxy group at C2.


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


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


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 20 carbons, 1 double bond and a hydroxy group at C2.


sphingomyelin 41:1

A sphingomyelin in which the total number of carbons in the sphingoid base and fatty acyl groups is 41 with 1 double bond.


A polysaccharide derivative comprising a trisaccharide repeating unit consisting of N-acetyl-beta-D-mannosaminouronic acid, 3,N-diacetyl-alpha-L-fucosamine and N-acetyl-beta-D-fucosamine residues linked sequentially (1->4) and (1->3), with the trisaccharide repeats themselves being linked (1->4); corresponds to the serotype 5 (CP5) capsular polysaccharide of Staphylococcus aureus.


A polysaccharide derivative comprising a trisaccharide repeating unit consisting of 4,N-diacetyl-beta-D-mannosaminouronic acid, N-acetyl-alpha-L-fucosamine and N-acetyl-beta-D-fucosamine residues linked sequentially (1->3), with the trisaccharide repeats themselves also being linked (1->3); corresponds to the serotype 8 (CP8) capsular polysaccharide of Staphylococcus aureus.


An amino disaccharide consisting of an N-acetyl-alpha-L-fucosaminyl residue linked (1->3) to an N-acetyl-alpha-D-fucosamine residue.


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


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


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


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


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


Trianion of UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl-L-lysine; major species at pH 7.3.


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


A UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl-meso-2,6-diaminoheptanedioate(4-) in which the muramoyl moiety has alpha-configuratijon at its anomeric centre; major species at pH 7.3


(S)-diniconazole

A (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the (S)-enantiomer of diniconazole.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 22 carbons, 1 double bond and a hydroxy group at C2.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 24 carbons and 1 double bond.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 24 carbons, 1 double bond and a hydroxy group at C2.


diniconazole-M

A (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the active R-enantiomer of diniconazole. A fungicide used to control a range of diseases including mildew, bunts and smuts.


Trianion of N(6)-(UDP-N-acetylmuramoyl-L-alanyl-D-gamma-glutamyl)-D-lysine; major species at pH 7.3.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 24 carbons and 2 double bonds.


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


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 24 carbons, 2 double bonds and a hydroxy group at C2.


omega-hydroxyphytanate

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


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 25 carbons with a hydroxy group at C2.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 25 carbons, 1 double bond and a hydroxy group at C2.


An N-acyl-(3-O-sulfo-D-galactosyl)sphingosine(1-) in which the ceramide N-acyl group is composed of 25 carbons, 2 double bonds and a hydroxy group at C2.


(S)-fenbuconazole

4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile that is the (S)-enantiomer of fenbuconazole.


(R)-fenbuconazole

4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile that is the (R)-enantiomer of fenbuconazole.


FLUQUINCONAZOLE

A member of the class of quinazolines that is 6-fluoroquinazolin-4-one carrying additional 1,2,4-triazol-1-yl and 2,4-dichlorophenyl substituents at positions 2 and 3 respectively. A fungicide used to control Ascomycetes, Deuteromycetes and Basidiomycetes spp. on cereals, beets and fruit.


strobilurin B

An enoate ester that is the methyl ester of (2E,3Z,5E)-6-(4-chloro-3-methoxyphenyl)-2-(methoxymethylene)-3-methylhexa-3,5-dienoic acid.


non-proteinogenic alpha-amino acid

Any  alpha-amino acid which is not a member of the group of 23 proteinogenic amino acids.


A polysaccharide phosphate composed of a backbone of alpha-D-glucose residues connected by phosphodiester linkages between positions 1 and 4 of adjacent residues; structure of the Neisseria meningitidis X capsular polysaccharide.


tubulozole

A racemate comprising equimolar amounts of (2R,4R)- and (2S,4S)-tubulozole. A synthetic anticancer drug that interferes with the structure and function of microtubules in both interphase and mitotic cells.


The organophosphate oxoanion formed by proton loss from the phospho group of 3-aminopropyl N-acetyl-alpha-D-glucosamine-1-phosphate.


An amino sugar phosphate that is alpha-D-glucosamine linked glycosidically to a (3-aminopropoxy)(hydroxy)phosphoryl group.


TUBULOZOLE

A carbamate ester that is the ethyl ester of [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamic acid.


(R,R)-tubulozole

An ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have R-configuration.


(S,S)-tubulozole

An ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have S-configuration.


zaragozic acid C

A polyketide isolated from fungi that is a potent inhibitor of fungal and mammalian squalene synthase.


15-hydroxypalmitic acid

A hydroxy fatty acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 15.


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


14-hydroxypalmitic acid

A hydroxy fatty acid that is palmitic (hexadecanoic) acid carrying a single hydroxy substituent at position 14.


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


A 1-phosphatidyl-1D-myo-inositol(1-) which has a steroyl group as the acyl group at position 2.


N-acetyl-D-muramoyl-L-alaninate

The carbohydrate acid derivative anion formed by loss of a proton from the carboxy group of N-acetyl-D-muramoyl-L-alanine; principal microspecies at pH 7.3.


A UDP-glycopeptide in which the glycopeptide component consists of N(6)-(N-acetyl-alpha-D-muramoyl-L-alanyl-D-gamma-glutamyl)-D-lysine, joined to UDP via a glycosyl diphosphate bond.


L-alanine derivative

A proteinogenic amino acid derivative resulting from reaction of L-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-alanine by a heteroatom.


D-alanine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-alanine by a heteroatom.


diazaborine

A organonitrogen heterocyclic compound consisting of 2,3,1-benzodiazaborinine substituted at positions 1 and 2 by hydroxy and 4-toluenesufonyl groups respectively.


N-acyl-L-alanine

An N-acyl-L-alpha-amino acid that is L-alanine in which a hydrogen attached to the nitrogen is replaced by an acyl group.


diazaborine derivative

Any organonitrogen heterocyclic compound that is derived from diazaborine.


dihydrocanadensolide

A member of the class of furofurans that is tetrahydrofuro[3,4-b]furan-2,4-dione substituted at positions 3 and 6 by methyl and butyl groups respectively (the 3R,3aR,6S,6aS-stereoisomer).


N-succinimidyl N-methylcarbamate

A member of the class of pyrrolidinones that is N-hydroxysuccinimide in which the hydroxyl hydrogen is replaced by a methylcarbamoyl group.


SDZ 90-215

A cyclodepsipeptide constructed from Pip, MeVal, Val, MeAsp, MeIle, MeIle, Gly, MeVal, Tyr(Me) and D-Lac residues.


A  farnesane sesquiterpenoid obtained by hydroxylation of one of the terminal methyl groups of farnesol.


A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E)-geranylgeranic acid; major species at pH 7.3.


omega-hydroxygeranylgeraniol

A diterpenoid obtained by hydroxylation of one of the terminal methyl groups of geranylgeraniol.


A polyunsaturated fatty acid anion resulting from the removal of a proton from the carboxy group of (2E,6E,10E,14E)-omega-hydroxygeranylgeranic acid; major species at pH 7.3.


2-saturated fatty acid anion

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


cladoniamide

A family of tryptophan-derived alkaloids produced in culture by Streptomyces uncialis, a lichen-associated actinomycete strain.


A 1-O-alkyl-sn-glycerol in which the alkyl group has a saturated bond between carbons 1 and 2.


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


hygrolidin

A macrolide consisting resulting from the formal lactonisation of the carboxy group of (2E,4E,6R,7S,8S,10E,12E,14S,15R,16S,17R,18S)-18-[(2R,4R,5S,6R)-4-{[(2E)-3-carboxyprop-2-enoyl]oxy}-2-hydroxy-5,6-dimethyltetrahydro-2H-pyran-2-yl]-7,15,17-trihydroxy-14-methoxy-2,4,6,8,10,16-hexamethylnonadeca-2,4,10,12-tetraenoic acid with the hydroxy group at position 15. It is active against SV40 tumour cells, and inhibits the growth of solid tumour-derived cell lines such as DLD-1 human colon cancer cells with increased cells in G1 and S phases.


An organic anionic group derived from N(omega)-(ADP-D-ribosyl)-L-arginine(1-); major species at pH 7.3


zaragozic acid A derivative

Any polyketide derived from zaragozic acid A.


A member of the class of imidazoquinolines that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 4-(1-cyanoisopropyl)phenyl group and at position 8 by a pyrimidin-5-yl group.


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


A glycosyloxyflavone that is 7-hydroxyflavanone having a beta-(1->2)-L-rhamnosyl)-beta-D-glucosyl moiety attached to the 7-hydroxy group.


L-arginine derivative

A proteinogenic amino acid derivative resulting from reaction of L-arginine at the amino group, the carboxy group, or the guanidyl group, or from the replacement of any hydrogen of L-arginine by a heteroatom.


D-arginine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-arginine at the amino group, the carboxy group, or the guanidyl group, or from the replacement of any hydrogen of D-arginine by a heteroatom.


bufadienolides

Any steroid lactone that is a C23 steroid with a six-membered lactone ring at C-17 and its substituted derivatives. They form the aglycone constituents of cardiac glycosides.


3-methyl fatty acyl-CoA(4-)

A  methyl-branched fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 3-methyl fatty acid.


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


cardiac glycoside

Steroid lactones containing sugar residues that act on the contractile force of the cardiac muscles.


bufadienolide glycoside

Any member of the class of  bufadienolides with glycosyl residues attached to position 3.


3-methyl fatty acid anion

A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 3-methyl fatty acid; major species at pH 7.3.


A dipeptide comprising of phenylglycine derived residues linked by peptide bonds.


D-asparagine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-asparagine at the amino group, the carboxy group, or the carboxamide, or from the replacement of any hydrogen of D-asparagine by a heteroatom.


2-methyl fatty acid anion

A methyl-branched fatty acid anion obtained by deprotonation of the carboxy group of any 2-methyl fatty acid; major species at pH 7.3.


The (5beta)-stereoiosmer of bufadienolide.


L-aspartic acid derivative

A proteinogenic amino acid derivative resulting from reaction of L-aspartic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-aspartic acid by a heteroatom.


D-aspartic acid derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-aspartic acid at the amino group or either carboxy group, or from the replacement of any hydrogen of D-aspartic acid by a heteroatom.


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


d,l-threo-3-HYDROXYASPARTIC ACID

A hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group.


L-glutamic acid derivative

A proteinogenic amino acid derivative resulting from reaction of L-glutamic acid at the amino group or either of the carboxy groups, or from the replacement of any hydrogen of L-glutamic acid by a heteroatom.


D-glutamic acid derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-glutamic acid at the amino group or either carboxy group, or from the replacement of any hydrogen of D-glutamic acid by a heteroatom.


A glutamine derivative that is glutamine in which one of the hydrogens attached to the alpha-amino group is replaced by an acyl group.


ethylenebis(dithiocarbamic acid)

A dithiocarbamic acid resulting from the formal addition of a molecule of carbon disulfide to each amino group of ethylenediamine.


D-glutamine derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-glutamine at the amino group, carboxy group, or carboxamide, or from the replacement of any hydrogen of D-glutamine by a heteroatom.


A sphingoid that is hexadecasphingosine substituted at position 14 by a methyl group.


An O-(S-acylpantetheine-4'-phosphoryl)serine(1-) residue in which the S-acyl group is specified as (9Z)-hexadecenoyl.


name: E. coli strain 0111 B4 lipopolysaccharide

description: A lipopolysaccharide that is produced by E. coli strain 0111 B4.


imidothioate

A compound with the general formula R'-N=C(SR)R'' where R is organyl and R' and R'' can be organyl or H.


A D-glucosylsphingosine(1+) obtained by protonation of the amino group of any beta-D-glucosylsphingosine; major species at pH 7.3.


(R)-penconazole

A 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole that is the (R)-enantiomer of penconazole.


(S)-penconazole

A 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole that is the (S)-enantiomer of penconazole.


(R)-simeconazole

A 2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol that is the (R)-enantiomer of simeconazole.


(S)-simeconazole

A 2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-(trimethylsilyl)propan-2-ol that is the (S)-enantiomer of simeconazole.


(R)-tetraconazole

A 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole that is the (R)-enantiomer of tetraconazole.


(S)-tetraconazole

A 1-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]1,2,4-triazole that is the (S)-enantiomer of tetraconazole.


TRIADIMEFON

A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.


(R)-triadimefon

A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (R)-enantiomer of triadimefon.


(S)-triadimefon

A 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one that is the (S)-enantiomer of triadimefon.


TRITICONAZOLE

A member of the class of cyclopentanols carrying 1,2,4-triazol-1-ylmethyl and 4-chlorobenzylidene and geminal dimethyl substituents at positions 1, 2 and 5 respectively.


(R)-triticonazole

A (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol that is the (R)-enantiomer of triticonazole.


(S)-triticonazole

A (5E)-5-(4-chlorobenzylidene)-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentanol that is the (S)-enantiomer of triticonazole.


(S)-prothioconazole

A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (S)-enantiomer of prothioconazole.


(R)-prothioconazole

A 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-1,2-dihydro-1,2,4-triazole-3-thione that is the (R)-enantiomer of prothioconazole.


A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 2-cyano-3,3-dimethylbutanoic acid with the amino group of 1-(2,4-dichlorophenyl)ethylamine.


The stereoisomer of 2-cyano-N-[1-(2,4-dichlorophenyl)ethyl]-3,3-dimethylbutanamide obtained by formal condensation of the carboxy group of (S)-2-cyano-3,3-dimethylbutanoic acid with the amino group of (R)-1-(2,4-dichlorophenyl)ethylamine.


(R,R)-fenoxanil

The stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (R)-2-(2,4-dichlorophenoxy)propanoic acid with the amino group of (R)-2-amino-2,3-dimethylbutanenitrile.


(R,S)-fenoxanil

The stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (R)-2-(2,4-dichlorophenoxy)propanoic acid with the amino group of (S)-2-amino-2,3-dimethylbutanenitrile.


(S,S)-fenoxanil

The stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (S)-2-(2,4-dichlorophenoxy)propanoic acid with the amino group of (S)-2-amino-2,3-dimethylbutanenitrile.


(S,R)-fenoxanil

The stereoisomer of N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide obtained by formal condensation of the carboxy group of (S)-2-(2,4-dichlorophenoxy)propanoic acid with the amino group of (R)-2-amino-2,3-dimethylbutanenitrile.


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


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


An icosanoid anion that is the conjugate base of 8,9-EET, obtained by deprotonation of the carboxy group; major species at pH 7.3.


vernolate

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


A monounsaturated fatty acid anion that is the conjugate base of 9,10-DiHOME, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


previtamin D3

A hydroxy seco-steroid which is an intermediate in the production of vitamin D3 in human skin.


Reynoutria sachalinensis extract

A mixture resulting from extraction from dried and ground plant material from giant knotweed (Reynoutria sachalinensis) with ethanol. It is used to prevents growth of certain fungi, especially powdery mildew and gray mould on ornamental plants grown in greenhouses.


A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,14Z)-11,12-dihydroxyicosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


pyridoxatin

A member of the class of dihydroxypyridines that is 1,4-dihydroxypyridin-2-one carrying an additional 6-ethenyl-2,4-dimethylcyclohexyl substituent at position 3. Pyridoxatin is a MMP-2 (Gelatinase A) inhibitor with antibiotic and anticancer properties. Also indicated to be a lipid peroxidation and DNA synthesis inhibitor as well as a free radical scavenger.


ravidomycin

A C-glycosylated naphthoisochromene derivative obtained from Streptomyces ravidus; exhibits antibiotic and anticancer properties.


An organic sulfate that consists of dihydroresveratrol substituted by a sulfate group at position 3. It is a metabolite of dihydroresveratrol.


A  monosaccharide derivative that is the 7-O-glucuronide of dihydroresveratrol .


prilocaine

An  amino acid amide in which N-propyl-DL-alanine and 2-methylaniline have combined to form the amide bond; used as a local anaesthetic.


An organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol.


A monoacyl alpha,alpha-trehalose in which the acyl group is specified as palmitoyl (hexadecanoyl) and is located at position 2.


A polyacyl alpha,alpha-trehalose carrying two palmitoyl (hexadecanoyl) substituents that are located at positions 2 and 3.


A monoatomic trication derived from gallium.


dihydroresveratrol sulfate

Any organic sulfate that is the monosulfate derivative of dihydroresveratrol.


dihydroresveratrol glucuronide

Any stilbenol that is the beta-D-glucosiduronic acid derivative of dihydroresveratrol.


resveratrol sulfate

Any stilbenol that is the monosulfate derivative of resveratrol.


dihydroresveratrol glucuronide sulfate

Any  stilbenol that consists of  dihydroresveratrol attached to a sulfate and a beta-D-glucosiduronic acid residue at unspecified positions.


primaquine

An N-substituted diamine that is pentane-1,4-diamine substituted by a 6-methoxyquinolin-8-yl group at the N(4) position. It is a drug used in the treatment of malaria and Pneumocystis pneumonia.


trabectedin

A tetrahydroisoquinoline alkaloid obtained from a Caribbean tunicate Ecteinascidia turbinata. Used for the treatment of soft tissue sarcoma and relapsed ovarian cancer.


resveratrol disulfate

Any  stilbenol that is the disulfate derivative of resveratrol.


resveratrol glucuronide sulfate

Any stilbenol that consists of resveratrol attached to a sulfate and a beta-D-glucosiduronic acid residue at unspecified positions.


resveratrol glucuronide sulfate 1

An isomer of the class of  resveratrol glucuronide sulfate.


pentose phosphate

Any phospho sugar that is the phosphate derivative of pentose.


N-acetylisoleucine

An  isoleucine derivative that is the N-acetyl derivative of isoleucine.


trapoxin A

A homodetic cyclic tetrapeptide constructed from L-phenylalanyl (x2), D-pipecolinyl and L-2-amino-8-oxo-9,10-epoxydecanoyl residues.


ophthalmic acid

A L-glutamine derivative that is L-glutamine substituted by a 1-[(carboxymethyl)amino]-1-oxobutan-2-yl at the terminal amino nitrogen atom.


octyl palmitate

A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of octan-1-ol.


A phenylalanine derivative in which the hydrogen at position 4 on the benzene ring is replaced by a fluoro group.


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


nonyl palmitate

A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of nonan-1-ol.


decyl palmitate

A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of decan-1-ol.


myristyl palmitate

A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of tetradecan-1-ol.


arachidyl palmitate

A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of icosan-1-ol.


stearyl palmitate

A palmitate ester resulting from the formal condensation of the carboxy group of palmitic acid with the hydroxy group of stearyl alcohol.


TETRADECANAL

A long-chain fatty aldehyde that is tetradecane in which two hydrogens attached to a terminal carbon are replaced by an oxo group. It is found in coriander.


PENTANAL

A saturated fatty aldehyde composed from five carbons in a straight chain.


C22-C26 saturated fatty acid

Any saturated fatty acid containing 22-26 carbons.


hexadecyl elaidate

A wax ester resulting from the formal condensation of the carboxy group of elaidic acid with the hydroxy group of hexadecan-1-ol.


aminocandin

A member of the family of echinocandins that shows broad-spectrum in vitro activity against Aspergillus and Candida spp.


A polysaccharide derivative comprising a trisaccharide repeating unit consisting of N-acetyl-beta-D-mannosaminouronic acid, N-acetyl-alpha-L-fucosamine and N-acetyl-beta-D-fucosamine residues linked sequentially (1->4) and (1->3), with the trisaccharide repeats themselves being linked (1->4); corresponds to the de-O-acetylated serotype 5 (CP5) capsular polysaccharide of Staphylococcus aureus.


A polysaccharide derivative comprising a trisaccharide repeating unit consisting of N-acetyl-beta-D-mannosaminouronic acid, N-acetyl-alpha-L-fucosamine and N-acetyl-beta-D-fucosamine residues linked sequentially (1->3), with the trisaccharide repeats themselves also being linked (1->3); corresponds to the de-O-acetylated serotype 8 (CP8) capsular polysaccharide of Staphylococcus aureus.


L-histidine derivative

A proteinogenic amino acid derivative resulting from the formal reaction of L-histidine at the amino group, carboxy group, or the imidazolyl moiety, or from the replacement of any hydrogen of L-histidine by a heteroatom.


D-histidine derivative

A non-proteinogenic amino acid derivative resulting from the formal reaction of D-histidine at the amino group, carboxy group, or the imidazolyl moiety, or from the replacement of any hydrogen of D-histidine by a heteroatom.


A lipid A derivative that consists of a branched octasaccharide phosphate made up from two D-galactose residues, two N-acetyl-D-glucosamine residues, a D-glucose residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A.  Corresponds to the de-O-acylated lipid A conjugate of the core oligosaccharide of Neisseria meningitidis.


palmityl heptadecanoate

A wax ester resulting from the formal condensation of the carboxy group of heptadecanoic acid with the hydroxy group of palmityl alcohol.


palmityl laurate

A wax ester resulting from the formal condensation of lauric acid with palmityl alcohol.


A lipid A derivative that consists of a branched pentasaccharide phosphate made up from a D-glucose residue, an N-acetyl-D-glucosamine residue, two L-glycero-D-manno-heptose residues (one of which is phosphoethanolamine-substituted on O-3), with linkages as shown and with a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the galE mutant of the core oligosaccharide of Neisseria meningitidis.


A lipid A derivative that consists of a linear tetrasaccharide phosphate comprising an N-acetyl-alpha-D-glucosamine residue,an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->2), (1->3), (1->5) sequence, with the Kdo residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the icsB mutant of the core oligosaccharide of Neisseria meningitidis.


A lipid A derivative that consists of a linear trisaccharide phosphate comprising an L-glycero-alpha-D-manno-heptose residue phosphoethanolamine-substituted on O-3, another L-glycero-alpha-D-manno-heptose residue and a 3-deoxy-D-manno-oct-2-ulosonic acid (2-keto-3-deoxy-D-mannooctanoic acid, Kdo) in a (1->3), (1->5) sequence, with the Kdo residue at the reducing end connected via an alpha(2->6) linkage to a de-O-acylated lipid A. Corresponds to the de-O-acylated lipid A conjugate of the icsA mutant of the core oligosaccharide of Neisseria meningitidis.


2-(acetylamino)-4-methylphenyl acetate

An  acetate ester that is phenyl acetate substituted by an acetylamino group at position 2 and a methyl group at position 4.


6-(2-hydroxyethoxy)-6-oxohexanoic acid

A dicarboxylic acid monoester obtained by the formal condensation of one of the hydroxy groups of ethylene glycol with one of the carboxy groups of  adipic acid.


6-(carboxymethoxy)hexanoic acid

A dicarboxylic acid that is hexanoic acid substituted by a carboxymethoxy group at position 6.


2,5-dihydroxycinnamic acid methyl ester

A cinnamate ester that is the methyl ester of 2,5-dihydroxycinnamic acid.


hydroxyretinoic glucuronide

Any retinoid obtained by the glycosylation of hydroxyretinoic acid with glucuronic acid.


A hydroxyretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-hydroxyretinoic acid with beta-glucuronic acid.


A hydroxyretinoic glucuronide that is all-trans-4-hydroxyretinoic acid attached to a beta-D-glucuronic acid residue via a glycosidic linkage.


3-(benzyloxy)-3-oxopropanoic acid

A dicarboxylic acid monoester obtained by the formal condensation of one of the carboxy groups of malonic acid with benzyl alcohol.


testosterone sulfate

A steroid sulfate that is testosterone substituted by a sulfoxy group at position 17.


2,6-dimethylheptanoyl carnitine

A C9-acylcarnitine in which the acyl group specified is 2,6-dimethylheptanoyl.


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


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


O-linoleyl-L-carnitine

An O-octadecadienoyl-L-carnitine where the acyl group specified is linoleyl.


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


primetin

A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 5 and 8.


An O-acylcarnitine having 3-hydroxyoctanoyl as the acyl substituent.


A monocarboxylic acid amide that is acetamide substituted by a methoxy group at position 2 and a 3-oxo-3-(pyrrolidin-1-yl)propyl group at the nitrogen atom.


Phe-Tyr-Asp

A tripeptide composed of L-phenylalanine, L-tyrosine and L-aspartic acid joined by peptide linkages.


An O-(S-pantetheine-4'-phosphoryl)-L-serine(2-) residue in which the S-acyl group is a  2-carboxyacyl.


An O-(S-2-carboxyacylpantetheine-4'-phosphoryl)-L-serine(2-) residue in which the S-acyl group is specified as 2-carboxyhexadecanoyl.


ketoretinoic acid glucuronide

Any retinoid obtained by the glycosylation of ketoretinoic acid with glucuronic acid.


An O-(S-2-carboxyacylpantetheine-4'-phosphoryl)-L-serine(2-) residue in which the S-acyl group is specified as 2-carboxytetradecanoyl.


A ketoretinoic glucuronide obtained by the glycosylation of the carboxy group of all-trans-4-oxoretinoic acid with beta-glucuronic acid.


An O-(S-2-carboxyacylpantetheine-4'-phosphoryl)-L-serine(2-) residue in which the S-acyl group is specified as 2-carboxydodecanoyl.


O-heptenoylcarnitine

An O-acylcarnitine that is the O-heptenoyl derivative of carnitine.


A glucosiduronic acid derivative of 4-(2-carboxyethyl)-7a-methyl-1-oxo-octahydro-1H-indene-5-carboxylic acid.


L-isoleucine derivative

A proteinogenic amino acid derivative resulting from reaction of L-isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-isoleucine by a heteroatom.


D-isoleucine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-isoleucine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-isoleucine by a heteroatom.


D-leucine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-leucine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-leucine by a heteroatom.


antazoline

A member of the class of imidazolines that is 2-aminomethyl-2-imidazoline in which the exocyclic amino hydrogens are replaced by benzyl and phenyl groups. Antazoline is only found in individuals that have taken the drug.


triprolidine

An N-alkylpyrrolidine that is acrivastine in which the pyridine ring is lacking the propenoic acid substituent. It is a sedating antihistamine that is used (generally as the monohydrochloride monohydrate) for the relief of the symptoms of uticaria, rhinitis, and various pruritic skin disorders.


An ammonium ion resulting from the protonation of the pyrrolidine nitrogen of tripoloidine. It is the major species at pH 7.3.


ganglioside GM3

A sialodiaosylceramide that is an alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-N-acylsphingosine in which the acyl group on nitrogen is (15Z)-tetracos-15-enoyl.


primidone

A pyrimidone that is dihydropyrimidine-4,6(1H,5H)-dione substituted by an ethyl and a phenyl group at position 5. It is used as an  anticonvulsant for treatment of various types of seizures.


L-methionine derivative

A proteinogenic amino acid derivative resulting from reaction of L-methionine  at the amino group or the carboxy group, or from the replacement of any hydrogen of L-methionine by a heteroatom.


D-methionine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-methionine  at the amino group or the carboxy group, or from the replacement of any hydrogen of D-methionine  by a heteroatom.


advanced glycation end-product

Carbohydrate derivatives resulting from the non-enzymatic glycosylation of proteins. They result in cells becoming stiffer and more prone to damage and premature aging.


D-tyrosine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-tyrosine by a heteroatom.


globoside Gb4

A glycotetraosylceramide in which a linear beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->-4)-beta-D-Gal-(1->4)-beta-D-Glc tetrasaccharide unit is linked glycosidically to a (3R,4E)-3-hydroxy-2-(pentacosanoylamino)octadec-4-en-1-yl ceramide group.


An acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of any 1,1-dicarboxylic acid.


2-carboxyacyl CoA(5-)

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


L-valine derivative

A proteinogenic amino acid derivative resulting from reaction of L-valine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-valine by a heteroatom.


Primin

A 1,4-benzoquinone having a methoxy substituent at the 2-position and a pentyl substituent at the 6-position.


D-valine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-valine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-valine by a heteroatom.


An O-(pantetheine-4'-phosphoryl)-L-serine residue derivative in which the S-2-alkyl-3-oxoacyl group is the product of a Claisen-type condensation of an acyl and a 2-carboxyacyl chain.


An anionic amino-acid residue formed by proton loss from the phospho group of an O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine residue; major species at pH 7.3.


D-serine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-serine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-serine by a heteroatom.


An O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-2-alkyl-3-oxoacyl-group is specified as 2-tetradecyl-3-oxooctadecanoyl.


L-serine derivative

A proteinogenic amino acid derivative resulting from reaction of L-serine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-serine by a heteroatom.


An O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-2-alkyl-3-oxoacyl-group is specified as 2-tetradecyl-3-oxohexadecanoyl.


An O-(S-2-alkyl-3-oxoacyl-pantetheine-4'-phosphoryl)-L-serine(1-) residue in which the S-2-alkyl-3-oxoacyl-group is specified as 2-tetradecyl-3-oxotetradecanoyl.


An amino-acid cation that is the conjugate acid of 3,6-diaminohexanoic acid resulting from protonation of both amino groups and deprotonation of the carboxy group; major species at pH 7.3.


myo-inositol phosphate(2-)

An inositol phosphate oxoanion resulting from the removal of both of the protons from the phosphate group of a myo-inositol monophosphate.


myo-inositol monophosphate derivative

Any myo-inositol monophosphate which has been derivatised.


1D-myo-inositol 5-phosphate(2-)

A myo-inositol phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1D-myo-inositol 5-phosphate; major species at pH 7.3.


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

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


D-phenylalanine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-phenylalanine by a heteroatom.


L-phenylalanine derivative

A proteinogenic amino acid derivative resulting from reaction of L-phenylalanine  at the amino group or the carboxy group, or from the replacement of any hydrogen of L-phenylalanine  by a heteroatom.


A 26-oxo steroid resulting from the oxidation of one of the terminal methyl groups of cholesterol to the corresponding aldehyde.


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


alpha-D-ribose 5-triphosphate

A D-ribose 5-triphosphate in which the ribose is in the furanose form and has alpha-configuration at the anomeric centre.


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

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


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and undecyl groups respectively.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxotridecyl groups respectively.


A phosphatidylcholine 40:5 in which the acyl groups at C-1 and C-2 are octadecanoyl and (6Z,9Z,12Z,15Z,18Z)-docosapentaenoyl respectively.


A 3-sn-phosphatidyl-L-serine in which the phosphatidyl acyl groups at positions 1 and 2 are specified as octadecanoyl and (3Z,6Z,9Z,12Z,15Z,18Z)-docosahexaenoyl respectively.


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


sennosides

A class of beta-D-glucosides of reductively-coupled dimers of hydroxyanthraquinones found particularly in senna (Cassia augustifolia) and rhubarb (Rheum rhabarbarum).


lauryl palmitoleate

A wax ester obtained by the formal condensation of palmitoleic acid and lauryl (dodecyl) alcohol.


methyl palmitoleate

A fatty acid methyl ester obtained from the formal condensation of methanol and palmitoleic acid.


A branched hexasaccharide comprised of five alpha-D-mannose residues linked as shown and also to a 3-deoxy-alpha-D-manno-oct-2-ulosonic acid (3-deoxy-D-manno-oct-2-ulosonic acid; Kdo) residue at the reducing end, corresponding to the core oligosaccharide of the phytopathogenic bacterium Rhizobacterium radiobacter strain Rv3.


A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a tetradecanoyl group attached to the nitrogen.


A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a dodecanoyl group attached to the nitrogen.


A glycophytoceramide having an alpha-D-galactopyranosyl residue at the O-1 position and a decanoyl group attached to the nitrogen.


alpha-Gal glycan

An amino glycan in which an alpha-Gal-(1->3)-beta-Gal-(1->4)-GlcNAc trisaccharide unit is linked glycosidically to a polysaccharide moiety.


(2E,6E)-farnesoic acid

A farnesoic acid in which the double bonds at positions 2 and 6 both have E-configuration.


An oxonium betaine obtained by deprotonation of the carboxy group of any anthocyanidin 3-O-(6-O-malonyl-beta-D-glucoside). It is the major microspecies at pH 7.3.


didecanoylphosphatidic acid

A phosphatidic acid in which both of the phosphatidyl acyl groups are specified as decanoyl.


A phosphatidic acid in which the acyl groups at positions 1 and 2 are specifed as stearoyl and arachidonoyl respectively.


A polyprenylhydroquinone in which the polyprenyl substituent is at C-2 with an additional methoxy group present at C-6.


A polyprenylhydroquinone in which the polyprenyl substituent is at C-2 together with additional methyl and methoxy groups present at C3 and C-6 respectively.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and pentadecyl groups respectively.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and heptadecyl groups respectively.


pristinamycin IA

A cyclodepsipeptide that is (together with pristinamycin IIA) a component of pristinamycin, an oral streptogramin antibiotic produced by Streptomyces pristinaespiralis. Pristinamycin exhibits bactericidal activity against Gram positive organisms including methicillin-resistant Staphylococcus aureus.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and nonadecyl groups respectively.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxoheptadecyl groups respectively.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxononadecyl groups respectively.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and 2-oxohenicosyl groups respectively.


A hydroperoxy fatty acid that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroperoxy group is located at position 12.


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


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


A hydroperoxy fatty acid that is (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid in which the hydroperoxy group is located at position 14.


A hydroperoxy fatty acid that is (6Z,8E,12Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 10.


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


A long-chain fatty acyl-CoA(4-) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of 2-methylhexadecanoyl-CoA; major species at pH 7.3


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


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


D-proline derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of D-proline by a heteroatom.


L-proline derivative

A proteinogenic amino acid derivative resulting from reaction of L-proline at the amino group or the carboxy group, or from the replacement of any hydrogen of L-proline  by a heteroatom.


A member of the class of cyclitols that is valiolone in which the stererocentres at positions 2 and 5 have been inverted.


D-threonine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-threonine  at the amino group or the carboxy group, or from the replacement of any hydrogen of D-threonine  by a heteroatom.


L-threonine derivative

A proteinogenic amino acid derivative resulting from reaction of L-threonine  at the amino group or the carboxy group, or from the replacement of any hydrogen of L-threonine  by a heteroatom.


An aldarolactone formed via intramolecular cyclocondensation of galactaric acid.


A glucarolactone formed via intramolecular cyclocondensation of the 5-hydroxy and 1-carboxy groups of D-glucaric acid.


teixobactin

A cyclodepsipeptide that is isolated from the previously unculturable bacterial species Eleftheria terrae and is active against gram-positive bacteria.


isomyristate

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


hydroxytryptophan

A hydroxy-amino acid that is tryptophan substituted by at least one hydroxy group at unspecified position.


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


3-hydroxy fatty acid anion

A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of any 3-hydroxy fatty acid.


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


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


QUINMERAC

A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid carrying additional methyl and chloro substituents at positions 3 and 7 respectively. A residual herbicide used to control broad-leaved weeds on a range of crops including cereals, rape and beet.


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


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


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


omega-hydroxy fatty acyl-CoA(4-)

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


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


5-formyl-2-furoic acid

A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a formyl group.


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


selenocysteine derivative

An amino acid derivative resulting from reaction of selenocysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of selenocysteine by a heteroatom. The definition normally excludes peptides containing selenocysteine residues.


L-selenocysteine derivative

A proteinogenic amino acid derivative resulting from reaction of L-selenocysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of L-selenocysteine by a heteroatom.


D-selenocysteine derivative

A non-proteinogenic amino acid derivative resulting from reaction of D-selenocysteine at the amino group or the carboxy group, or from the replacement of any hydrogen of D-selenocysteine by a heteroatom.


5-(dihydroxymethyl)-2-furoic acid

A member of the class of furoic acids that is 2-furoic acid substituted at position 5 by a dihydroxymethyl group.


furan-2,5-dicarboxylic acid

A member of the class of furans carrying two carboxy substituents at positions 2 and 5.


A member of the class of furans that is 2-furfural substituted at position 4 by a phosphooxymethyl group.


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


gamma-glutamyltyramine

An L-glutamine derivative obtained by formal condensation of the side-chain carboxy group of glutamic acid with the amino group of tyramine.


An  epoxide that is oxirane substituted by a methyl and a propyl group at positions 2 and 3 respectively. Metabolite observed in cancer metabolism.


A member of the class of furans that is 2-furylmethylamine substituted at position 4 by a phosphooxymethyl group.


An alkene that is (4E)-dec-4-ene with a methyl group at position 7. Metabolite observed in cancer metabolism.


A nitroalkene that is 1-undecene substituted by a nitro group at position 11.  Metabolite observed in cancer metabolism.


An alkene that is docosane with an unsaturation at position 1. Metabolite observed in cancer metabolism.


A cycloalkane that is cyclohexane substituted by an ethyl and a propyl group at positions 1 and 2 respectively. Metabolite observed in cancer metabolism.


An   iodoalkane that is undecane substituted by an iodo group at position 1 and a methyl group at position 2. Metabolite observed in cancer metabolism.


An alkene that is 1-nonene substituted by methyl groups at positions 4, 6 and 8 respectively. Metabolite observed in cancer metabolism.


A tertiary alcohol that is propan-2-ol substituted by a 4-methoxyphenyl group at position 2. Metabolite observed in cancer metabolism.


A  hexenal that is (3E)-hex-3-enal substituted by methyl groups at positions 2, 3 and 6. Metabolite observed in cancer metabolism.


An alkane that is decane substituted by methyl groups at positions 2, 3, 5 and 8. Metabolite observed in cancer metabolism.


A  diester obtained by the formal condensation of 2,4,4-trimethylpentane-1,3-diol with two molecules of 2-methylpropanoic acid. Metabolite observed in cancer metabolism.


A long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 14. Metabolite observed in cancer metabolism.


A long-chain alkane that is heptadecane substituted by methyl groups at positions 2, 6, 10 and 15. Metabolite observed in cancer metabolism.


An  alkene that is (3E)-oct-3-ene substituted by methyl groups at positions 2 and 6. Metabolite observed in cancer metabolism.


thienotriazolodiazepine

Any organic heterotricyclic compound constructed from fused thiophene, triazole and diazepeine rings.


triethylene glycol monomethyl ether

A hydroxypolyether that is the monomethyl ether derivative of triethylene glycol. Metabolite observed in cancer metabolism.


A phosphatidylethanolamine 36:1 zwitterion obtained by transfer of a proton from the amino to the phosphate group of 1-oleoyl-2-stearoyl-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


A primary alcohol that is 1-octanol substituted by a butyl group at position 2. Metabolite observed in cancer metabolism.


A primary aliphatic amine that is butan-2-amine substituted by a methyl group at position 2. Metabolite observed in cancer metabolism.


An alkane that is  octane substituted by methyl groups at positions 3 and 5. Metabolite observed in cancer metabolism.


A 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.


A fatty alcohol that is 1-dodecanol substituted by methyl groups at positions 3, 7 and 11. Metabolite observed in cancer metabolism.


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


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


A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.


An alkane that is undecane substituted by methyl groups at positions 3 and 8. Metabolite observed in cancer metabolism.


PHOSPHATIDYLINOSITOL-TRISPHOSPHATE

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


A primary aliphatic amine that is pentan-3-amine substituted by methyl groups at positions 2 and 4. Metabolite observed in cancer metabolism.


A 2-pyranone in which the hydrogens at positions 4 and 6 of 2H-pyran-2-one are replaced by hydroxy and heptyl groups respectively.


name: phosphatidyl (3,4) inositol bisphosphate

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


A primary aliphatic amine that is pentane substituted by an amino group at position 3. Metabolite observed in cancer metabolism.


An alkane that is  dodecane substituted by methyl groups at positions 4 and 6. Metabolite observed in cancer metabolism.


An alkane that is undecane substituted by a methyl group at position 4. Metabolite observed in cancer metabolism.


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


An alkene that is dec-1-ene substituted by a methyl group at position 5. Metabolite observed in cancer metabolism.


A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and pentadecyl groups respectively.


N,N-dimethylacetamide

A member of the class of  acetamides that is  acetamide in which the hydrogens attached to the N atom have been replaced by two methyl groups respectively. Metabolite observed in cancer metabolism.


A 2-pyranone in which the hydrogens at positions 4, 5 and 6 of 2H-pyran-2-one are replaced by hydroxy, methyl and heptadecyl groups respectively.


methyl phenylglyoxalate

The methyl ester of  phenylglyoxylic acid with methanol. Metabolite observed in cancer metabolism.


3,6-anhydro-L-galactonic acid

An anhydrohexose obtained by formation of a ring across the 3 and 6 positions of L-galactonic acid


D-prolinol

The D-enantiomer of prolinol. Metabolite observed in cancer metabolism.


iminoarginine

A dehydroamino acid that is arginine in which the amino group has been oxidised to the corresponding imine.


probenecid

A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.


ethyl phenylglyoxylate

The ethyl ester of phenylglyoxylic acid. Metabolite observed in cancer metabolism.


isobutyric acid anhydride

An acyclic carboxylic anhydride of  isobutyric acid. Metabolite observed in cancer metabolism.


ISOPROPYL PALMITATE

A fatty acid ester obtained by the formal condensation of carboxy group of palmitic acid with  propan-2-ol. Metabolite observed in cancer metabolism.


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


A primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N(1) and a methyl group at position 2. Metabolite observed in cancer metabolism.


A 1-acyl-2-tetradecanoyl-sn-glycero-3-phosphate in which the 1-acyl group is specified as tetradecanoyl (myristoyl).


A secondary aliphatic amine that is sec-butylamine substituted by a methyl group at the N atom. Metabolite observed in cancer metabolism.


NONANAL

A saturated fatty aldehyde formally arising from reduction of the carboxy group of nonanoic acid. Metabolite observed in cancer metabolism.


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


probucol

A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.


N-propylbenzamide

A member of the class the class of benzamides that is benzamide substituted by a propyl group at the N atom. Metabolite observed in cancer metabolism.