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


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


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


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


An organic anion that is the conjugate base of 1,1-diethyl-2-hydroxy-3-oxotriazane, obtained by deprotonation of the N-hydroxy group.


A nitroso compound that is triazane in which the the nitrogen at position 1 is substituted by two ethyl groups, that at position 2 is substituted by a hydroxy group, and that at position 3 is substituted by an oxo group.


A carboxamidinium ion resulting from the protonation of the carboxamidine group of oxymetazoline. It is the major species at pH 7.3.


A lysobisphosphatidate carrying the fatty acyl groups at positions sn-3 and sn-3' of glycerol.


carboxamidinium ion

Any iminium ion resulting from the protonation of a carboxamidine.


omeprazole

A racemate comprising equimolar amounts of (R)- and (S)-omeprazole.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any 1,1'-lysobisphosphatidic acid; major species at pH 7.3.


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

A flavonoid oxoanion that is the conjugate base of apigenin 7-O-beta-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


epsilon-lactone ring

A seven-membered lactone ring.


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


An indole alkaloid cation that is the conjugate acid of 17-O-acetylnorajmaline, obtained by protonation of the tertiary amino function.  Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as capryl (decanoyl).


delta-lactam

A lactam in which the amide bond is contained within a six-membered ring, which includes the amide nitrogen and the carbonyl carbon.


A phenolate anion that is the conjugate base of bergaptol, obtained by deprotonation of the phenolic hydroxy substituent. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(dimethylamino)pentanoic acid with the aromatic amino group of N-[(4-aminophenyl)carbamothioyl]-4-tert-butylbenzamide.


lactam ring

Any organic heteromonocyclic ring that contains a lactam linkage.


verapamil

A tertiary amino compound that is 3,4-dimethoxyphenylethylamine in which the hydrogens attached to the nitrogen are replaced by a methyl group and a 4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl group.


DEXVERAPAMIL

A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has R configuration. It competitively inhibits the multidrug resistance efflux pump P-glycoprotein (MDR-1, EC 3.6.3.44), thereby potentially increasing the effectiveness of a wide range of antineoplastic drugs which are inactivated by MDR-1 mechanisms. Dexverapamil exhibits lower calcium antagonistic activity and toxicity than racemic verapamil.


ossamycin

A  macrolide antibiotic that was originally isolated from the culture broths of Streptomyces hygroscopicus var. ossamyceticus.


(S)-VERAPAMIL

A 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile that has S configuration.


An ammonium ion resulting from the protonation of the tertiary amino group of dexverapamil.


An ammonium ion resulting from the protonation of the tertiary amino group of (S)-verapamil.


adenosine 2'-phosphate(2-)

An organophosphate oxoanion obtained by removal of two protons from the phosphate group of adenosine 2'-phosphate; major species at pH 7.3.


bongkrek acid

A tricarboxylic acid that is docosa-2,4,8,10,14,18,20-heptaenedioic acid substituted at positions 2 ,5 and 17 by methyl groups, at positions 6 by a methoxy group and at position 20 by a carboxymethyl group. It is produced by the bacterium Burkholderia gladioli and implicated in outbreaks of food-borne illness involving coconut and corn-based products in Indonesia and China.


is_a_ CHEBI:64517 in which 1 and 2-acyl groups are specified as hexadecanoyl and 10-hydroperoxy 8E-octadecenoyl respectively.


ONONIN

A 4'-methoxyisoflavone that is formononetin attached to a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.


A triazolopyrimidine that is [1,2,3]triazolo[4,5-d]pyrimidine bearing an amino substituent at position 7.


A tripeptide that is the 2-phenylethyl amide of L-arginyl-2,5,7-tri-tert-butyl-L-tryptophyl-L-arginine


A 1,2-diacyl-sn-glycero-3-phosphocholine in which 1 and 2-acyl groups are specified as palmitoyl (hexadecanoyl) and (10E)-9-hydroperoxyoctadecenoyl respectively.


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


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


An ionic phospholipid obtained by deprotonation of the free carboxy group of 2-O-glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine; major species at pH 7.3.


lejimalide A

A macrolide that is isolated from the marine tunicate Eudistoma cf. rigida and exhibits potent in vitro cytotoxic activity.


A delta-lactam that is piperidine which is substituted by an oxo group at position 2.


syringomycin E

A member of the class of syringomycins that has 3-hydroxydodecanoyl as the fatty acyl tail group. It is isolated from Pseudomonas syringae pv. syringae and exhibits phytotoxic and antifungal properties.


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


A phenolate anion that is the conjugate base of 2,4,6-trihydroxybenzophenone, obtained by deprotonation of one of the two ortho-hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.).


cytidine 2'-phosphate(2-)

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


A phenolate anion that is the conjugate base of 3,6-dichlorocatechol, obtained by deprotonation of one of the twophenolic hydroxy groups. Major structure at pH 7.3 (according to Marvin v 6.2.0.).


8-epi-prostaglandin F2alpha(1-)

A prostaglandin carboxylic acid anion that is the conjugate base of 8-epi-prostaglandin F2alpha, obtained by deprotonation of the carboxy group. Major structure at pH 7.3.


A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of 3',4',5,6-tetrahydroxy-3,7-dimethoxyflavone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


OPHIOBOLIN A

A sesterterpenoid that is ophiobolane with a hydroxy group at position 3, oxo groups at positions 5 and 25, double bonds at positions 7-8 and 19-20, and an oxygen link between positions 14 and 18.


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


An oxonium betaine obtained by deprotonation of the 5-hydroxy group of cyanidin 3-O-(6-O-glucosyl-2-O-xylosylgalactoside). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


ILICICOLIN H

An aromatic ketone in which the ketone carbonyl group is attached to a (1R,2R,4aS,7S,8aR)-4,7-dimethyl-1-[(1E)-prop-1-en-1-yl]-1,2,4a,5,6,7,8,8a-octahydronaphthalen-2-yl group and a 4-hydroxy-5-(4-hydroxyphenyl)-2-oxo-1,2-dihydropyridin-3-yl group. Isolated from the from the "imperfect" fungus Cylindrocladium iliciola strain MFC-870.


An aromatic amide resulting from the formal condensation of the carboxy group of 8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid with the primary amino group of 3,5-dichloropyridin-4-amine 1-oxide. It is a potent inhibitor of phosphodiesterase IV (PDE4).


SULCONAZOLE

A member of the class of imidazoles that is 1-ethyl-1H-imidazole in which one of the hydrogens of the methyl group is replaced by a (4-chlorobenzyl)sulfanediyl group while a second is replaced by a 2,4-dichlorophenyl group.


(R)-sulconazole

A 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole that has R configuration.


(S)-sulconazole

A 1-{2-[(4-chlorobenzyl)sulfanyl]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole that has S configuration.


orbencarb

A monothiocarbamic ester that is carbamothioic S-acid substituted by two ethyl groups at the nitrogen atom and a 2-chlorobenzyl group at the the sulfur atom.


sulfaphenazole

A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.


An organic cation obtained by protonation of the amino group of 1-hexadecyl-2-amino-2-deoxy-sn-glycerol; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of 1-O-palmityl-2-desoxy-2-amino-sn-glycero-3-phosphate.


temafloxacin

A racemate comprising equimolar amounts of (R)- and (S)-temafloxacin. Both enantiomers both exhibit similar pharmacological profiles. Temafloxacin was briefly used (either as the free base or as the hydrochloride salt) as an antibacterial drug but was withdrawn worldwide in 1992 following reports of serious side effects, including severe hypoglycaemia, haemolytic anaemia, liver and kidney dysfunction, anaphylaxis, and death.


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

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


An organic cation obtained by protonation of the secondary amino group of (R)-tetrindole.


(S)-TEMAFLOXACIN

1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has R configuration.


(S)-temafloxacin

1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid that has S configuration.


An organic cation obtained by protonation of one of the three ring nitrogens of melamine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


tetrindole

A racemate composed of equimolar amounts of (R)- and (S)-tetrindole


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


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


uridine 2'-phosphate(2-)

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


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


biochanin A 7-O-beta-D-glucoside(1-)

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


A phenolate anion that is the conjugate base of enterobactin, obtained by deprotonation of one of the phenolic hydroxy groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


(13Z,16Z,19Z)-docosatrienoic acid

A long-chain omega-3 fatty acid that is docosanoic acid having three double bonds located at positions 13, 16 and 19 (the (13Z,16Z,19Z-geoisomer).


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


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


ORIENTIN

A C-glycosyl compound that is luteolin substituted by a beta-D-glucopyranosyl moiety at position 8.


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


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) in which the acyl group at position 2 is hexadecenoyl (position of double bond not specified).


An aldehydic acid anion that is the conjugate base of 9-oxononanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An organic heterotetracyclic compound that is 2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole carrying a cyclohexyl substituent at position 8.


(R)-tetrindole

An 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (R)-enantiomer of tetrindole.


(S)-tetrindole

An 8-cyclohexyl-2,3,3a,4,5,6-hexahydropyrazino[3,2,1-jk]carbazole that is the (S)-enantiomer of tetrindole.


6-Deoxy-D-glucos-6-yl corynomycolate in which the configurations at the 2- and 3-positions of the corynomycolate moiety are both R.


tilidine

An amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and dimethylamino groups, respectively. It has four possible diastereoisomers; the opioid analgesic drug tilidine is a racemate comprising the two trans diastereoisomers.


3-mercaptohexyl acetate

An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol.


An alanine derivative that is D-alanine in which one of the methyl hydrogens is replaced by a 2-thienyl group.


ORIPAVINE

A morphinane alkaloid with formula C18H19NO3. It is the major metabolite of thebaine.


glucose 6-monomycolate (C80)

A mycolate ester formed by esterification of (2R,3R,20Z,35Z)-3-hydroxy-2-tetracosanylhexapentaconta-20,35-dienoic acid with the 6-OH of D-glucose. (C80 is the average tail length of a reported naturally occurring range of 72-86 carbon atoms.)


ent-dextilidine

An ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has R configuration at the carbon bearing the phenyl group and S configuration at the carbon bearing the dimethylamino group. It is the enantiomer of dextilidine; the opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and ent-dextilidine.


DEXTILIDINE

An ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate that has S configuration at the carbon bearing the phenyl group and R configuration at the carbon bearing the dimethylamino group. The opioid analgesic tilidine is the racemate comprising equimolar amounts of dextilidine and its enantiomer, ent-dextilidine. A prodrug, tilidine is converted by the liver to the active analgesic, nortilidine; virtually all of the opioid activity resides in the (1S,2R) isomer (i.e. the isomer derived from dextilidine).


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


A carbohydrate acid derivative anion arising from deprotonation of the carboxy and 5-hydroxy groups of luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate; major microspecies at pH 7.3 (according to Marvin 6.2.0.).


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


An organic cation obtained by protonation of the amino group of any 2-arylethylamine.


guanosine 3',5'-bis(diphosphate)(5-)

An organophosphate oxoanion that is a penta-anionic form of guanosine 3',5'-bis(diphosphate). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


rac-nortilidine

A racemate comprising (1R,2S)- and (1S,2R)-nortilidine. The synthetic narcotic analgesic tilidine is a prodrug for nortilidine, being metabolised to it in the liver. Virtually all of the opioid analgesic effects of racemic nortilidine, which are comparable to those of morphine, are due to the (1S,2R) enantiomer.


A 2-acyl-sn-glycero-3-phosphoserine(1-) in which the 2-acyl group is specified as arachidonoyl.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and propionyl respectively.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and butanoyl respectively.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and valeroyl respectively.


lancovutide

A 19-membered heterodetic cyclic peptide that is isolated from Streptoverticillium cinnamoneus. It exhibits antiproliferative properties and induces apoptosis in tumour cells and has been used for treatment of cystic fibrosis.


An amino acid ester that is the ethyl ester of cyclohex-3-ene-1-carboxylic acid in which the cyclohexane ring is substituted at positions 1 and 2 by phenyl and methylamino groups, respectively.


A class of omega-hydroxy fatty acid-containing ceramide where the omega-hydroxy fatty acid is esterified with another fatty acid.


A non-proteinogenic alpha-amino acid that is tryptophan in which the hydrogen at position 5 on the indole ring is replaced by a fluoro group.


An oxonium betaine obtained by deprotonation of the 7-hydroxy group of delphinidin 3-O-beta-D-glucoside-5-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


NORTILIDINE

A ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. Dextilidine is a prodrug for  (1S,2R)-nortilidine, being metabolised to it by the liver.


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

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


An ethyl 2-(methylamino)-1-phenylcyclohex-3-ene-1-carboxylate that is ent-dextilidine in which one of the methyl groups attached to the nitrogen is replaced by hydrogen. ent-Dextilidine is metabolised to (1R,2S)-nortilidine by the liver.


A hydroxy monocarboxylic acid anion that is the conjugate base of stipitatic acid, obtained by deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


thymidine 3'-monophosphate(2-)

A organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of thymidine 3'-monophosphate. Major structure at pH 7.3 (according to Marvin v 6.2.0.).


An oxonium betaine obtained by deprotonation of the 7-hydroxy group of delphinidin 3,3',5-tri-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 3beta-sterol that is cholesterol substituted at position 7 by an amino group.


dehydroglycine zwitterion

A zwitterion obtained by transfer of a proton from the carboxy to the imino group of dehydroglycine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


glycerol 1-phosphodiester(1-)

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


An aromatic amino-acid zwitterion arising from deprotonation of the carboxy and 3-hydroxy groups asell as protonation of the amino group of the cationic 3-(3,4-dihydroxypyridinium-1-yl)-L-alanine; major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


toxaphene

A highly complex mixture of several hundred polychlorinated compounds obtained by chlorination of camphene to an overall chlorine content of 67-69% by weight and having an overall empirical formula of C10H10Cl8 (including optical isomers, it could theoretically contain over 32,000 congeners). Toxaphene was used from the mid-1940s as an agricultural insecticide (mostly in the USA, particularly on corn and soybeans). Use increased with the phasing out of DDT in the 1970s (it became the most heavily manufactured pesticide in the US) but it is now banned due to concerns about toxicity and carcinogenicity. Total production since its first use is estimated at around 500,000 tons. In the environment, most of the components of toxaphene get metabolised, but from 10 to >100 resist biodegradation, depending on the medium and the specialisation of the enzyme system. Breathing, drinking or eating high levels of toxaphene can damage the lungs, kidneys, and nervous system.


An organophosphate oxoanion that is a dianionic form of (2S)-2-amino-3-oxo-4-(phosphonooxy)butanoic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(S)-HODE; major species at pH 7.3.


A ketooctose derivative that is D-glycero-D-altro-octulose carrying two phosphate substituents at positions 1 and 8.


3-chlorolactic acid

A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens is replaced by a chloro group.


An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.


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

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


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


A dicarboxylic acid monoanion that is the conjugate base of 2-aminomuconic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


3-cyano-L-alanine zwitterion

An L-alpha-amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 3-cyano-L-alanine. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


cincreasin

A member of the class of benzoxazoles that is 2-benzoxazolinone substituted at position 6 by a bromo group.


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


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


A 2-acyl-sn-glycero-3-phosphoserine(1-) in which the acyl group is an hexadecenoyl with the position of the double bond unspecified.


A quaternary ammonium ion obtained by methylation of the two tertiary amino groups of 1,1'-hexadecane-1,16-diyldipyrrolidine.


(E,E)-sorbate

A sorbate obtained by deprotonation of the carboxy group of (E,E)-sorbic acid.


A precorrin carboxylic acid anion that is the hexaanionic form of precorrin-3B.


A precorrin carboxylic acid anion that is a heptaanionic form of precorrin-5. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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


hydrogenobyrinic acid a,c-diamide(2-)

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


A dicarboxylic acid monoanion that is the conjugate base of iminoaspartic acid  and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


name: biochanin A 7-O-beta-D-glucoside 6''-O-malonate(2-)

description: A flavonoid oxoanion that is a dianionic form of biochanin A 7-O-(6-O-malonyl-beta-D-glucoside). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


An amino pentasaccharide consisting of a di-N-acetylated lactosediamine to which is linked (1->3) an alpha-L-fucosyl residue and which is in turn linked (1->3) to the galectose residue of a second lactose moiety. Saccharide portion of the antigen lacdiNAc fucopentaose-BSA.


elaiophylin

A macrodiolide that is isolated from several bacteria including Streptomyces violaceoniger and other soil actinomycetes.


boromycin

A boron-containing macrolide antibiotic that is isolated from Streptomyces antibioticus.


The carbohydrate acid derivative that is the allyl glycoside of 7-azido-7-deoxy-7-epi-Kdo.


nocardicin E(2-)

A monocarboxylic acid anion obtained by deprotonation of the carboxy and oxime OH groups of nocardicin E. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and one of the ortho-phenolic groups of demethylsulochrin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organic anion obtained by deprotonation of the malonyl carboxy as well as the 5- and 7-hydroxy groups of delphinidin 3-O-(6''-O-malonyl)-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An N-[omega-(acylyloxy)]acylsphin-4-enine in which the omega-O-acyl group is specified as linoleoyl.


An N-[omega-(acylyloxy)]acylsphin-4-enine in which the omega-O-acyl group is specified as (9R)-hydroperoxy-(10E,12Z)-octadecadienoyl (R represents a very long chain acyl group).


orphenadrine

A tertiary amino compound which is the phenyl-o-tolylmethyl ether of 2-(dimethylamino)ethanol.


A 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and 5-oxovaleryl groups at the 1- and 2-positions respectively; major species at pH 7.3.


An N-[omega-(acylyloxy)]acylsphin-4-enine in which the omega-O-acyl group is specified as  (9R,10R)-epoxy-(13R)-hydroxy-(11E)-octadecenoyl (R represents a very long chain acyl group).


An N-[omega-(acylyloxy)]acylsphin-4-enine in which the omega-O-acyl group is specified as (9R,10R)-epoxy-13-keto-(11E)-octadecenoyl (R represents a very long chain acyl group).


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


aci-nitroethane

An aci-nitro compound that is the predominant form of ethylnitronate at pH 7.3 (according to Marvin v 6.2.0.).


A hydroxy fatty acid anion obtained by deprotonation of the carboxy group of 9(R)-HODE; major species at pH 7.3.


A 2'-deoxyribonucleoside triphosphate oxoanion that is the tetraanion of 8-oxo-dGTP arising from deprotonation of the triphosphate OH groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A 2'-deoxyribonucleoside triphosphate oxoanion that is the tetraanion of 2'-deoxy-2-hydroxyadenosine 5'-triphosphate, arising from deprotonation of the triphosphate OH groups. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


tioconazole

A member of the class of imidazoles that comprises 2-(2,4-dichlorophenyl)ethylimidazole carrying an additional (2-chloro-3-thienyl)methoxy substituent at position 2.


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


A phenolate anion obtained by deprotonation of the 2-hydroxy group of (1'S,5'S)-5'-hydroxyaverantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


name: anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] 5-O-beta-D-glucoside betaine

description: An oxonium betaine that is the conjugate base of any anthocyanidin 3-O-[2-O-(4-coumaroyl)-alpha-L-rhamnosyl-(1->6)-beta-D-glucoside] 5-O-beta-D-glucoside and is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


The carbohydrate acid derivative anion formed from (allyl 7-azido-3,7-dideoxy-beta-L-gulo-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group.


(S)-tioconazole

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


norsolorinic acid anthrone(1-)

A phenolate anion obtained by deprotonation of the 2-hydroxy group of norsolorinic acid anthrone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


(R)-tioconazole

A 1-{2-[(2-chloro-3-thienyl)methoxy]-2-(2,4-dichlorophenyl)ethyl}imidazole that is the (R)-enantiomer of tioconazole.


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


GM 193663

A tetracyclic diterpenoid that is a semisynthetic analogue of sordadin. It has a tetracyclic diterpene glycoside structure.


The carbohydrate acid derivative anion formed from (allyl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosid)onic acid by proton loss from the carboxy group.


The carbohydrate acid derivative that is the allyl glycoside of 7-O-methyl-Kdo.


A HPETE anion obtained by deprotonation of the carboxy group of 9(R)-HPETE; major species at pH 7.3.


An alkene that is but-1-ene carrying a methyl substituent at position 3.


An alkene that is but-1-ene carrying a methyl substituent at position 2.


An alkene that is ethylene in which three of the hydrogens are replaced by methyl groups.


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


mutalomycin

A polyether antibiotic produced by a strain of Streptomyces mutabilis NRRL 8088.


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


(24S)-24-hydroxycholesterol 3-hexanoate

A sterol ester that is the 3-hexanoyl derivative of (24S)-24-hydroxycholesterol.


21-deoxyconcanamycin A

A macrolide antibiotic that is a semisynthetic analogue of concanamycin A, possessing an 18-membered lactone ring and a 6-membered oxane ring in which the hydroxy group at position 23 is glycosylated by a 4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl residue.


isopentenol

An enol that is 3-methylbut-1-ene in which one of the terminal hydrogens is replaced by a hydroxy group.


The carbohydrate acid derivative anion formed by proton loss from the carboxy group of alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone


A carbohydrate lactone formed from alpha-Kdo-(2->8)-alpha-Kdo-OAll by lactone formation between the carboxy group of the non-reducing alpha-Kdo residue and O-7 of the alpha-Kdo-OAll residue.


A methyl ketone that is nonane in which the methylene hydrogens at position 2 are replaced by an oxo group.


A methyl ketone that is tridecane in which the methylene hydrogens at position 2 are replaced by an oxo group.


A methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group.


A secondary alcohol that is undecane substituted by a hydroxy group at position 2.


A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-[6-O-(6-O-4-hydroxycinnamoyl-beta-D-glucosyl)-2-O-beta-D-xylosyl-beta-D-galactoside]. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


tetracycline zwitterion

A zwitterion obtained by transfer of a proton from the 2-hydroxy group to the 1-amino group of tetracycline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-5'-oxoaverantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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

A phenolate anion obtained by deprotonation of the 5- and 7-hydroxy groups of cyanidin 3-O-beta-D-galactoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


TOFA

A member of the class of furans that is 2-furoic acid in which the hydrogen at position 5 is replaced by a tetradecyloxy group.


An organic anion obtained by removal of one of the methylene protons from barbituric acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


oroxylin A(1-)

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


phosphate monoester

An organic phosphate that is phosphoric acid in which one of the hydrogens is replaced by an organyl group.


alborixin

A polyether antibiotic that is isolated from cultures of a strain of Streptomyces albus.


tavaborole

A member of the class of benzoxaboroles that is 1,3-dihydro-1-hydroxy-2,1-benzoxaborole substituted at position 5 by a fluoro group. A topical antifungal agent used for the treatment of onychomycosis (fungal infection of the toenails and fingernails).


name: anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside] betaine

description: An oxonium betaine obtained by deprotonation of the 7-hydroxy group of anthocyanidin 3-glucoside 5-[(6-O-4-hydroxycinnamoyl)glucoside]. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


name: anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside betaine

description: An oxonium betaine obtained by deprotonation of the 7-hydroxy group of any anthocyanidin 5-O-beta-D-glucoside 3-O-beta-D-sambubioside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An oxonium betaine obtained by deprotonation of the 5-hydroxy group of any anthocyanidin 3-O-beta-D-sambubioside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


anthocyanidin 3-O-sophoroside betaine

An oxonium betaine obtained by deprotonation of the 5-hydroxy group of any anthocyanidin 3-O-sophoroside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


A phenolate anion obtained by deprotonation of the hydroxy group located at the position ortho to the carbonyl group of isoliquiritigenin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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

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


versicolorin B(1-)

A phenolate anion obtained by deprotonation of the 8-hydroxy group of versicolorin B. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


D-glucosyl-N-hexanoylsphingosine

A D-glucosyl-N-acylsphingosine in which the ceramide N-acyl group is specified as hexanoyl.


A member of the class of monomethoxyflavones that is 3'-methoxyflavone bearing an additional amino substituent at position 2'.


L-erythro-N-dodecanoylsphingosine

A sphingolipid that is the N-dodecanoyl (lauroyl) derivative of L-erythro-sphingosine.


A cationic sphingoid resulting from the protonation of the amino group of L-erythro-sphingosine; major species at pH 7.3.


m-fluoro-L-phenylalanine

A phenylalanine derivative that is L-phenylalanine in which the hydrogen at position 3 on the benzene ring is replaced by a fluoro group.


A disaccharide derivative consisting of two 3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl units joined via an alpha-(2->8)-linkage with an O-allyl group at the anomeric centre and with the carboxy group of the residue at the non-reducing end methyl-esterified.


The carbohydrate acid derivative anion formed by proton loss from the free carboxy group of alpha-Kdo1Me-(2->8)-alpha-Kdo-OAll


dioctanoylglycerol pyrophosphate

A 1,2-diacyl-sn-glycerol 3-diphosphate in which both of the phosphatidyl acyl groups are specified as octanoyl.


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


versicolorin A(1-)

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


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


A phenolate anion obtained by deprotonation of one of the two ortho-hydroxy groups of 2',4,4',6'-tetrahydroxychalcone 4'-O-beta-D-glucoside. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


aclacinomycin T zwitterion

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin T. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


oseltamivir

A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.


aclacinomycin A zwitterion

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


vancomycin aglycone(1-)

A peptide anion that is the conjugate base of vancomycin aglycone and the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


tetracenomycin F2(2-)

A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 7-hydroxy groups of tetracenomycin F2. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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

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


aclacinomycin Y zwitterion

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin Y. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


DIPHENYLENEIODONIUM

An organic cation that is fluorene in which the methylene group is replaced by a positively charged iodine.


A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 5-hydroxy groups of aklanonic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


methyl aklanonate(1-)

A phenolate anion obtained by deprotonation of 1-hydroxy group of methyl aklanonate. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A flavonoid oxoanion that is a trianionic form of luteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)]. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


tetracenomycin D3(2-)

A hydroxy monocarboxylic acid anion obtained by deprotonation of the carboxy and 8-hydroxy groups of tetracenomycin D3. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


aclacinomycin N zwitterion

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin N. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


A member of the class of 1,3-thiazole bearing 2-cyclopentylidenehydrazino and 4-chlorophenyl substituents at positions 2 and 4 respectively.


A phenolate anion obtained by deprotonation of 5-hydroxy group of aklaviketone. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two phenyl substituents at positions 4 and 7.


N-oleoylsphingosine

A N-acylsphingosine in which the ceramide N-acyl group is specified as oleoyl.


An alkylglycerol having the alkyl group located at either the sn-1 or sn-3 position.


A monosubstituted glycerol having an alk-1-enyl substituent located at the sn-1 or sn-3 position. The orientation of the alk-1-enyl bond, cis or trans, is not specified.


A alk-1-enylacylglycerol having the alk-1-enyl substituent in the sn-1 or sn-3 position and an acyl substituent in the sn-2 position. The orientation of the alk-1-enyl bond, cis or trans, is not specified.


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


N-dodecanoylphytosphingosine

A phytoceramide in which the ceramide N-acyl group is specified as dodecanoyl.


hexamethyldisiloxane

An organosiloxane consisting of two trimethylsilyl groups covalently bound to a central oxygen.


wiskostatin

A racemate comprising equimolar amounts of (R)- and (S)-wiskostatin.


(R)-wiskostatin

A 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol that is the (R)-enantiomer of wiskostatin.


WISKOSTATIN

A 1-(3,6-dibromocarbazol-9-yl)-3-(dimethylamino)propan-2-ol that is the (S)-enantiomer of wiskostatin.


A member of the class of carbazoles that is 1-(carbazol-9-yl)-3-(dimethylamino)propan-2-ol bearing two additional bromo substituents at positions 3 and 6 on the carbazole ring system.


linoleic acid hydroperoxide

A HPODE that is a mono-hydroperoxy derivative of linoleic acid


A leucine derivative in which one of its methyl groups is replaced by trifluoromethyl.


A member of the class of imidazopyrimidines that is imidazo[1,2-a]pyrimidine substituted at positions 2 and 3 by phenyl and nitroso groups respectively.


dodecylphosphocholine

A phosphocholine that is the monododecyl ester of phosphocholine


heptacosanoate

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


An organic cation that is tetrazole carrying three phenyl substituents at positions 2, 3 and 5.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and alpha-linolenoyl respectively.


4-coumaroyltriacetic acid lactone

A polyketide that is 4-hydroxypyran-2-one carrying an additional 4-(4-hydroxyphenyl)-2-oxobut-3-en-1-yl group at position 6; produced due to derailment from the canonical 2',4,4',6'-tetrahydroxychalcone-producing reaction pathway.


A guanidinium ion obtained by protonation of the two imino nitrogens of mitoguazone; major species at pH 7.3.


A trihydroxyflavanone in which the three hydroxy substituents are located at positions 6, 7 and 4'.


toralactone

An organic heterotricyclic compound that is 9,10-dihydroxy-1H-benzo[g]isochromen-1-one substituted at positions 3 and 7 by methyl and methoxy groups respectively.


A carboxamide, the structure of which is that of acetamide substituted on carbon by a 2',3-dimethyl-2,4'-bipyridin-5-yl group and on nitrogen by a 5-(pyrazin-2-yl)pyridin-2-yl group. It is a highly potent, selective and orally bioavailable Porcupine inhibitor (a Wnt signalling inhibitor).


methyl arachidonate

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of arachidonic acid with methanol.


12(R)-HPETE methyl ester

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(R)-HPETE with methanol.


12(S)-HPETE methyl ester

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(S)-HPETE with methanol.


polyhydroxyalkanoate

Bacteria-synthesized intracellularly accumulated polyesters from saturated and unsaturated hydroxyalkanoic acid


A member of the class of imidazopyridines that is imidazo[1,2-a]pyridine substituted at positions 2 and 3 by phenyl and nitroso groups respectively.


13(S)-HPODE methyl ester

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 13(S)-HPODE with methanol.


5-fluoroanthranilic acid

An aminobenzoic acid that is anthranilic acid in which the hydrogen at position 5 on the phenyl ring is replaced by fluorine.


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


A 1-oleoyl-2-acyl-sn-glycero-3-phosphocholine in which the acyl substituent at position 2 is specified as acetyl.


A 2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as acetyl.


A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(5,8,10)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HPE(8,10,14)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


octadecenoate

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


octadecatetraenoate

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


hexacosapentaenoate

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


tetracosapentaenoate

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


docosapentaenoate

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


hexacosatetraenoate

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


hexacosenoate

An unsaturated fatty acid anion that is the conjugate base of hexacosenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


tetracosahexaenoate

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


hexacosahexaenoate

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


docosahexaenoate

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


tetracosatetraenoate

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


octacosatetraenoate

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


octacosapentaenoate

A polyunsaturated fatty acid anion that is the conjugate base of octacosapentaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Formula is C28H45O2


octacosahexaenoate

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


tetracosenoate

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


docosatetraenoate

A polyunsaturated fatty acid anion that is the conjugate base of docosatetraenoic 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 10(R)-HPO(6,8,12)TrE, obtained by deprotonation of the carboxy group; major species at pH 7.3.


icosatrienoate

An unsaturated fatty acid anion that is the conjugate base of icosatrienoic acid arising from deprotonation of the carboxy group. Major species at pH 7.3.


icosadienoate

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


icosenoate

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


docosenoate

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


triacontapentaenoate

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


triacontatetraenoate

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


triacontahexaenoate

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


dotriacontatetraenoate

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


dotriacontapentaenoate

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


dotriacontahexaenoate

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


hepoxilin B3(1-)

A hepoxilin anion that is the conjugate base of hepoxilin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3.


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


tetratriacontatetraenoate

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


tetratriacontapentaenoate

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


tetratriacontahexaenoate

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


hexatriacontatetraenoate

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


oxacillin

A penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta.


A 1,2-diglyceride obtained by the formal acylation of positions 1 and 2 of glycerol by hexadecanoic (palmitic) acid.


hexatriacontapentaenoate

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


hexatriacontahexaenoate

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


octatriacontatetraenoate

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


octatriacontapentaenoate

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


hexadecenoate

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


hexadecadienoate

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


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


1-palmitylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as palmityl (hexadecyl).


trioxilin B3(1-)

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


trioxilin A3(1-)

The trioxilin anion that is the anion formed from trioxilin A3 by deprotonation of its carboxylic acid moiety; major microspecies present at pH 7.3.


A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as tetradecyl.


A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as tetradecyl.


A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as dodecyl.


A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as dodecyl.


dihexadecanoyl phosphatidic acid

A phosphatidic acid in which the phosphatidyl acyl groups are both palmitoyl (hexadecanoyl).


A 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate in which both of the stereocentres have S configuration.


A cyclopropanecarboxylate ester resulting from the formal condensation of the carboxy group of 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetrafluoro-4-methylbenzyl alcohol.


A 2-acetyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as decyl.


A 1-alkyl-sn-glycero-3-phosphocholine in which the alkyl group is specified as decyl.


1-oleylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as oleyl


1-dodecylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as dodecyl


fatty acid anion 3:0

Any saturated fatty acid anion containing 3 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


1-tetradecylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as tetradecyl


fatty acid anion 4:0

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


fatty acid anion 6:0

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


fatty acid anion 8:0

Any saturated fatty acid anion containing 8 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 10:0

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


fatty acid anion 12:0

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


fatty acid anion 13:0

Any saturated fatty acid anion containing 13 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 14:0

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


fatty acid anion 15:0

Any saturated fatty acid anion containing 15 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 16:0

Any saturated fatty acid anion containing 16 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 17:0

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


fatty acid anion 18:0

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


fatty acid anion 20:0

Any saturated fatty acid anion containing 20 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 22:0

Any saturated fatty acid anion containing 22 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 24:0

Any saturated fatty acid anion containing 24 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 26:0

Any saturated fatty acid anion containing 26 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty acid anion 28:0

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


fatty acid anion 30:0

Any saturated fatty acid anion containing 30 carbons. Formed by deprotonation of the carboxylic acid moiety. Major species at pH 7.3.


fatty alcohol 13:0

Any fatty alcohol containing 13 carbons.


fatty alcohol 14:0

Any fatty alcohol containing 14 carbons.


fatty alcohol 15:0

Any fatty alcohol containing 15 carbons.


1-pentadecylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as pentadecyl


fatty alcohol 16:0

Any fatty alcohol containing 16 carbons.


fatty alcohol 17:0

Any fatty alcohol containing 17 carbons.


fatty alcohol 18:0

Any fatty alcohol containing 18 carbons.


fatty alcohol 20:0

Any fatty alcohol containing 20 carbons.


fatty alcohol 22:0

Any fatty alcohol containing 22 carbons.


1-heptadecylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as heptadecyl.


fatty alcohol 24:0

Any fatty alcohol containing 24 carbons.


fatty alcohol 26:0

Any fatty alcohol containing 26 carbons.


fatty alcohol 28:0

Any fatty alcohol containing 28 carbons.


fatty alcohol 30:0

Any fatty alcohol containing 30 carbons.


An octadecenoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-9-octadecenoic acid.


fatty alcohol 18:1

Any fatty alcohol containing 18 carbons and 1 double bond.


fatty alcohol 20:1

Any fatty alcohol containing 20 carbons and 1 double bond.


fatty alcohol 22:1

Any fatty alcohol containing 22 carbons and 1 double bond.


oxalosuccinic acid

A tricarboxylic acid consisting of 2-oxoglutaric acid having a further carboxy group at the 3-position. It is a substrate of the citric acid cycle.


fatty alcohol 18:2

Any fatty alcohol containing 18 carbons and 2 double bonds.


benzoselenazole

An organic heterobicyclic compound whose skeleton consists of a benzene ring which is ortho-fused to a selenzole ring.


2-dimethylammonioethyl chloride

An organic cation obtained by protonation of the tertiary amino function of 2-dimethylaminoethyl chloride.


2-dimethylaminoethyl chloride

A tertiary amino compound consisting of one 2-chloroethyl and two methyl groups covalently bound to a nitrogen atom.


mucidin

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


An organosulfonate oxoanion obtained by deprotonation of the sulfo groups of 4,7-diphenyl-1,10-phenanthroline 4',4''-disulfonic acid.


A member of the class of phenanthrolines that is 4,7-diphenyl-1,10-phenanthroline carrying two additional sulfo substituents at positions 4' and 4''


bleomycin A5

A member of the class of bleomycins that is used in sclerotherapy for cervicofacial lymphatic malformations.


1-octadecylglycerone 3-phosphate

A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as octadecyl.


A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as (9Z,12Z)-octadecadienyl.


A 1-alkylglycerone 3-phosphate in which the alkyl group is specified as (9Z,12Z,15Z)-octadecatrienyl.


Any monoacylglycerol 3-phosphate(2-) which has a free hydroxy group at the 2-position of the glycerol moiety.


Any monoacylglycerol 3-phosphate(2-) which has a free hydroxy group at the 1-position of the glycerol moiety.


1-alkylglycerol 3-phosphate(2-)

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


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


A monoacylglycero-3-phosphoethanolamine zwitterion having an unspecified ester linked acyl substituent at the sn-1 or sn-3 position of the glycerol fragment.


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


monoacylglycerol 3-phosphate(2-)

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


1-linoleoylglycerone 3-phosphate

A 1-acylglycerone 3-phosphate in which the acyl group is specified as linoleoyl.


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


1-arachidonoylglycerone 3-phosphate

A 1-acylglycerone 3-phosphate in which the acyl group is specified as arachidonoyl.


undecanoyl-CoA

A medium-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of undecanoic acid.


A medium-chain unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-undecenoic acid.


A polyunsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z)-hexadecadienoic acid.


An unsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of trans-2-heptadecenoic acid.


8(R)-HPETE methyl ester

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12(R)-HPETE with methanol.


An octadecadienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9E)-octadecadienoic acid.


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


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


A anionic phospholipid derived from any monolkylmonoacylglycerol phosphate in which the acyl group is linked to either the sn-1, sn-2, or sn-3 position, the alkyl group is linked to either the sn-1, sn-2, or sn-3 position, and the phosphate group is linked to either the sn-1, or sn-3 position. Major species at pH 7.3.


An anionic phospholipid having a phosphate group at sn-1 or sn-3 position of the glycerol backbone, and with a combination of one or two acyl groups, alkyl groups, or alkenyl groups  attached at the sn-1, sn-2, or sn-3 positions through ester, ether or vinyl linkages respectively.


An alkylacylglycero-3-phosphocholine in which the alkyl and acyl groups are located at positions 1 and 2 respectively. Major species at pH 7.3.


A polyunsaturated fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z)-octadecadienoic acid.


A glycerophosphocholine that is glycero-3-phosphocholine carrying unspecified alk-1-enyl and acyl groups at positions 1 and 2 respectively. Major species at pH 7.3.


A glycerophosphocholine that is glycero-3-phosphocholine carrying one alkyl and one acyl group in unspecified positions. Major species at pH 7.3.


oxamniquine

A racemate comprising equimolar amounts of (R)- and (S)-oxamniquine. An anthelmintic, it is administered orally for the treatment of schistomiasis caused by Schistosoma mansoni (but not by other Schistosoma species); intramuscular administration is no longer used as it causes severe pain at the injection site.


An octadecatrienoyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,9Z,12Z)-octadecatrienoic acid.


Any member of the class of lysophosphatidylcholines which has a free hydroxy group at the 2-position of the glycerol moiety.


Any member of the class of lysophosphatidylcholines which has a free hydroxy group at the 1-position of the glycerol moiety.


A monoalkylglycerophosphocholine in which the alkyl group may be attached to the sn-1 or sn-3 position.


A  2,3-trans-enoyl -CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoic acid.


A glycerophosphocholine that is glycero-3-phosphocholine bearing a single alkenyl group located at position 1.


monoalkylglycerophosphocholine

A glycerophosphocholine that is glycero-3-phosphocholine bearing a single alkyl substituent at an unspecified position (sn-1, sn-2, or sn-3).


An alkyl,acyl-glycero-3-phosphoethanolamine zwitterion in which an unspecified alkyl group is located at position sn-1 or sn-3 and an unspecified acyl group is located at position sn-2.


A glycerophosphoethanolamine zwitterion in which an unspecified alk-1-enyl group is located at position sn-1 or sn-3 and an unspecified acyl group is located at position sn-2.


A glycerophosphoethanolamine zwitterion that is glycero-3-phosphoethanolamine zwitterion carrying one alkyl and one acyl group in unspecified positions. Major species at pH 7.3.


A monoacylglycero-3-phosphoethanolamine zwitterion in which the acyl group is located at position 2. Major species at pH 7.3.


A glycerophosphoethanolamine zwitterion obtained by transfer of a proton from the phosphate to the amino group of any monoacylglycero-3-phosphoethanolamine; major species at pH 7.3.


A monoalkylglycerophosphoethanolamine zwitterion in whgich the alkyl group is located at position 1.


The zwitterion of 1-(alk-1-enyl)-glycero-3-phosphoethanolamine formed by proton transfer from the phosphate to the primary amino group. The alk-1-enyl group may be attached to the sn-1 or sn-3 position.


A glycerophosphoethanolamine zwitterion that is the zwitterionic form of glycero-3-phosphoethanolamine, bearing a single alkyl substituent at an unspecified position (sn-1, sn-2, or sn-3).


fatty acid ethyl ester

A fatty acid ester that is the carboxylic ester obtained by the formal condensation of a fatty acid with ethanol.


An anionic phospholipid that is the conjugate base of 1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine, obtained by deprotonation of the free carboxy group; major species at pH 7.3.


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


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


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any monoacylglycero-3-phosphoglycerol. Major species at pH 7.3.


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


A monoacylglycero-3-phosphoglycerol obtained by deprotonation of the phosphate OH group of any 2-acylglycero-3-phospho-1'-glycerol; major species at pH 7.3.


The conjugate base of a 1-acylglycero-3-phospho-L-serine compound. Major species at pH 7.3.


The conjugate base of a 2-acylglycero-3-phospho-L-serine compound. Major species at pH 7.3.


A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl).


An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of alpha,beta-didehydrotryptophan; major species at pH 7.3.


acetone d6

A deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium.


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


An organic phosphonate that is phenylphosphonic acid diesterified with tropinium and 4-nitrophenol.


oxaprozin

A monocarboxylic acid that is a propionic acid derivative having a 4,5-diphenyl-1,3-oxazol-2-yl substituent at position 3. It is  non-steroidal anti-inflammatory drug commonly used to relieve the pain and inflammatory responses associated with osteoarthritis and rheumatoid arthritis.


An iminium ion obtained by protonation of the imino group of 2-methyl-1-pyrroline. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An anionic phospholipid that is the conjugate base of a monoacylglycero-3-phospho-L-serine compound. Major species at pH 7.3.


An organic cation obtained by protonation of the imino group of (R)-2-methylpyrrolidine. It is the major microspecies at pH 7.3


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


An alkyl,acylglycero-3-phosphoserine(1-) in which an unspecified alkyl group is located at position sn-1 or sn-3 and an unspecified acyl group is located at position sn-2.


An anionic phospholipid that is glycero-3-phospho-L-serine(1-) in which the acyl group is linked to either the sn-1, sn-2, or sn-3 position, the alkyl group is linked to either the sn-1, sn-2, or sn-3 position, and the phosphate group is linked to either the sn-1, or sn-3 position. Major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as capryl (decanoyl).


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dicapryl-sn-glycero-3-phosphate; major species at pH 7.3.


A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octanoyl.


A 1,2-diacyl-sn-glycerol 3-phosphate(2-) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3.


oxazepam

A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a hydroxy group at position 3 and phenyl group at position 5.


An anionic phospholipid that is the conjugate base of a 1,2-diacylglycero-3-phospho-1-inositol; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of a 1-acylglycero-3-phospho-1-inositol; major species at pH 7.3.


An anionic phospholipid that is the conjugate base of a 2-acylglycero-3-phospho-1-inositol; major species at pH 7.3.


An anionic phospholipid obtained by deprotonation of the phosphate OH group of any monoacylglycero-3-phospho-1-inositol; major species at pH 7.3.


A member of the class of 6-aminopurinnes that is adenine in which one of the exocyclic amino hydrogens is replaced by a hydroxy group.


N-acetyl-L-cysteinate

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


A hydroxybenzaldehyde that is 4-hydroxybenzaldehyde bearing an additional amino substituent at position 3.


BENZOXABOROLE

A member of the class of benzoxaboroles that is 2,1-benzoxaborole in which the hydrogen attached to the boron atom is replaced by a hydroxy group.


3-methyl-L-tyrosine zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 3-methyl-L-tyrosine; major species at pH 7.3.


oxcarbazepine

A dibenzoazepine derivative, having a carbamoyl group at the ring nitrogen, substituted with an oxo group at C-4 of the azepeine ring which is also hydrogenated at C-4 and C-5. It is a anticholinergic anticonvulsant and mood stabilizing drug, used primarily in the treatment of epilepsy.


benzoxaborole

Any organic heterobicyclic compound that consists of an oxoborole ring that is ortho-fused to a benzene ring.


An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of 5-hydroxy-3-methyl-L-tyrosine; major species at pH 7.3.


cholesteryl acetate

A cholesterol ester obtained by formal acylation of the hydroxy group of cholesterol by acetic acid.


A 2-amino-4-hydroxypteridine carrying two additional methyl substituents at positions 6 and 7.


A zwitterion resulting from a transfer of a proton from the phosphonate to the amino group of (2-amino-1-hydroxyethyl)phosphonate.  It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


(4S)-4-hydroxy-L-isoleucine zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy to the amino group of (4S)-4-hydroxy-L-isoleucine; major species at pH 7.3.


A 1,3-thiazolium cation that is 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole alkylated at the N3 position by a (2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl group.


oxiconazole

An oxime O-ether that is the 2,4-dichlorobenzyl ether of the oxime obtained by formal condensation of hydroxylamine with the carbonyl group of acetopnenone in which the phenyl group is substituted by chlorines at positions 2 and 4, and in which one of the hydrogens of the methyl group is replaced by a 1H-imidazol-1-yl group. An antifungal agent, it is used (generally as the nitrate salt) in creams and powders for the topical treatment of fungal skin infections.


VALERYL SALYCILATE

A valerate ester that is salicylic acid in which the phenolic hydrogen is replaced by a valeryl (pentanoyl) group.


A member of the class of naphthoates that is 1-naphthoate substituted at position 5 by a methyl group; major species at pH 7.3.


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


An N-acylsphingosine-1-phosphoethanolamine zwitterion in which the N-acyl group is specified as hexanoyl.


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


A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing an additional hydroxy substituent at the 3alpha-position.


oryzalexin D

A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 7beta-positions.


isogloboside

An oligoglycosylceramide in which two galactose residues are linked via an alpha-(1->3)-linkage (vs alpha-(1->4) for globosides).


oryzalexin A

A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing additional hydroxy and oxo substituents at the 3alpha- and 7-positions respectively.


oryzalexin E

A tricyclic diterpenoid that is ent-sandaracopimaradiene bearing two additional hydroxy substituents at the 3alpha- and 9beta-positions.


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


A phosphatidylethanolamine 38:6 zwitterion in which the acyl substituents at positions 1 and 2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.


A phosphatidylserine 38:6 that is the conjugate base of hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoserine; major species at pH 7.3.


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


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


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


A phosphatidylethanolamine 40:6 zwitterion obtained by transfer of a proton from the phosphate to the primary amino group of 1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoethanolamine.


A hexaric acid anion obtained by deprotonation of the two carboxy groups of 3-deoxy-D-threo-hex-2-ulosaric acid; major species at pH 7.3.


A phosphatidylethanolamine 38:4 zwitterion obtained by transfer of a proton from the phosphate to the primary amino group of 1-octadecanoyl-2-(5Z,8Z,11Z,14Z-icosatetraenoyl)-sn-glycero-3-phosphoethanolamine; major species at pH 7.3.


A phosphatidylserine 38:4 that is the conjugate base of 1-stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine; major species at pH 7.3.


A 2-acyl-sn-glycerol 3-phosphate in which the phosphatidyl acyl group is specified as oleoyl.


A branched amino tetrasaccharide consisting of D-galactose at the reducing end with an alpha-L-fucosyl-(1->4)-[beta-D-galactosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position.


ZURETINOL

A retinol in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.


A retinal in which the double bond at position 9 has cis configuration, whilst the remaining acyclic double bonds have trans configuration.


FERRUGINOL

An abietane diterpenoid that is abieta-8,11,13-triene substituted by a hydroxy group at positions 12.


N(5)-hydroxy-L-ornithine zwitterion

An amino acid zwitterion obtained from N(5)-hydroxy-L-ornithine by transfer of a proton from the alpha-carboxy group to the amino group.


omega-hydroxyphylloquinone

A member of the class of phylloquinones obtained by hydroxylation of one of the terminal methyl groups of phylloquinone itself.


menatetrenone

A menaquinone whose side-chain contains 4 isoprene units in an all-trans-configuration.


A prenylnaphthoquinone obtained by hydroxylation of one of the terminal methyl groups of menaquinone-4.


lysophosphatidate 18:1

A monoacyl-sn-glycerol 3-phosphate in which the acyl group is specified as octadecenoyl and is attached at either sn-1 or sn-2 position; major species at pH 7.3.


A branched amino pentasaccharide consisting of D-galactose at the reducing end with an alpha-L-fucosyl-(1->2)-[N-acetyl-beta-D-galactosaminyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position.


A member of the class of naphthoates that is 1-naphthoate substituted at positions 2 and 7 by hydroxy groups and at position 5 by a methyl group; major species at pH 7.3.


A member of the class of naphthoates that is 1-naphthoate substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively; major species at pH 7.3.


A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogen at position 8 is replaced by an alpha-L-rhamnosyl residue.


A branched amino pentasaccharide consisting of D-galactose at the reducing end with an alpha-L-fucosyl-(1->2)-[beta-D-galactosyl-(1->3)]-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position.


A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogen at position 8 is replaced by a 2-O-methyl-alpha-L-rhamnosyl residue.


A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogen at position 8 is replaced by a 2,3-di-O-methyl-alpha-L-rhamnosyl residue.


A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogen at position 8 is replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl residue.


ELLORAMYCIN

A member of the class of tetracenomycins that is 8-demethyltetracenomycin C in which the hydroxyl hydrogens at position 8 and 10 a are replaced by a 2,3,4-tri-O-methyl-alpha-L-rhamnosyl and methyl groups respectively.


A branched amino hexasaccharide consisting of D-galactose at the reducing end with an alpha-L-fucosyl-(1->2)-[N-acetyl-beta-D-galactosaminyl-(1->3)]-beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl moiety attached at the 3-position.


L-m-tyrosine zwitterion

An L-alpha-amino acid zwitterion that is L-m-tyrosine in which a proton has been transferred from the carboxy group to the amino group.


ophiobolin F

A sesterterpenoid that is (7Z)-ophiobola-7,19-diene carrying a hydroxy substituent at position 3.


(3R)-3-hydroxy-L-argininium residue

An amino-acid cation residue obtained by protonation of the guanidino group (3R)-3-hydroxy-L-arginine residue; major species at pH 7.3.


An amino-acid cation residue obtained by protonation of the amino group of (3S)-3-amino-3-(3-chloro-4,5-dihydroxyphenyl)propanoyl residue; major species at pH 7.3.


An amino-acid cation residue obtained by protonation of the amino group of (3S)-3-amino-3-(3-chloro-4-hydroxyphenyl)propanoyl residue; major species at pH 7.3.


An  oxysterol that is  cholesterol substituted by hydroxy groups at positions 17 and 20 (the 20R-stereoisomer).


An N-acetylated alpha-(2->8)-linked homosialopolysaccharide consisting of eight alpha-D-N-acetylneuraminyl residues joined by (2->8) linkages (i.e. [8)-alpha-Neu5Ac-(2->]n where n = 8).


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


A nucleotide-sugar oxoanion obtained by deprotonation of the diphosphate OH groups of dTDP-2-deoxy-beta-L-fucose; major species at pH 7.3.


aclacinomycin S zwitterion

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin S. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A secondary alcohol that is nonane substituted by a hydroxy group at position 2.


An N-acetylated alpha-(2->8)-linked homosialopolysaccharide consisting of five alpha-D-N-acetylneuraminyl residues joined by (2->8) linkages (i.e. [8)-alpha-Neu5Ac-(2->]n where n = 5).


ambrein

A triterpenoid alcohol that is a constituent of ambergris, an intestinal secretion of the sperm whale Physeter catodon.


ambroxan

A diterpenoid derived from sclareol that is responsible for the odour of ambergris (a solid, waxy, flammable substance produced in the digestive system of sperm whales).


asarone

A phenylpropanoid that is benzene substituted by methoxy groups at positions 1, 2 and 4 and a propen-1-yl group at position 5. It has been isolated from Acorus.


α-asarone

The trans-isomer of  asarone.


CARMINIC ACID

A tetrahydroxyanthraquinone that is that is 1,3,4,6-tetrahydroxy-9,10-anthraquinone substituted by a methyl group at position 8, a carboxy group at position 7 and a 1,5-anhydro-D-glucitol moiety at position 2 via a C-glycosidic linkage. It is a natural dye isolated from several insects such as Dactylopius coccus.


15-oxolipoxin A4(1-)

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


A monocarboxylic acid anion that is the conjugate base of 5,10-dihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 5,10-9-dimethylallyldihydrophenazine-1-carboxylic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


4-O-dimethylallyl-L-tyrosine zwitterion

An amino acid zwitterion obtained by transfer of a proton from the amino to the carboxy group of 4-O-dimethylallyl-L-tyrosine; major species at pH 7.3.


A carbobicyclic compound that is bicyclo[3.1.1]heptane which is substituted by an oxo group at position 2 and by methyl groups at positions 4, 6 and 6, and which contains a double bond between positions 3 and 4.


levoverbenone

A 4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one in which both chiral centres have S configuration.


civetone

A macrocycle that is cycloheptadecanone with an unsaturation at position 9 (the 9Z-stereoisomer). It has been found in African Civets.


An organophosphate oxoanion obtained by deprotonation of the phosphate and triphosphate OH groups of pppGp(2'->5')A; major species at pH 7.3.


rac-ethyl lactate

A racemate comprising equimolar amounts of (R)- and (S)-ethyl lactate.


lactic acid

A 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group.


ethyl 2-hydroxypropanoate

The ethyl ester obtained of 2-hydroxypropanoic acid.


ethyl (2S)-lactate

The (2S)-enantiomer of ethyl lactate.


ethyl (2R)-lactate

The (2R)-enantiomer of ethyl lactate.


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


13,14-dihydro-15-oxolipoxin A4(1-)

A hydroxy fatty acid anion obtained by deprotonation of the carboxy function of 13,14-dihydro-15-oxolipoxin A4; major species at pH 7.3.


A phenolate anion that is the conjugate base of 5-hydroxyxanthotoxin, obtained by deprotonation of the hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


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


13,14-dihydrolipoxin A4(1-)

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


huperzine A

A sesquiterpene alkaloid isolated from a club moss Huperzia serrata that has been shown to exhibit neuroprotective activity. It is also an effective inhibitor of acetylcholinesterase and has attracted interest as a therapeutic candidate for Alzheimer's disease.


A member of the class of pyrazolopyrimidine that is pyrazolo[3,4-d]pyrimidin-4-amine bearing additional tert-butyl and 4-chlorophenyl substituents at positions 1 and 3 respectively. It is a potent ATP-competitive inhibitor of the Src family of protein tyrosine kinases.


Src kinase inhibitor I

A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a p-phenoxyanilino group and at positions 6 and 7 by methoxy groups. It is a  potent, competitive dual site (both the ATP- and peptide-binding) Src kinase inhibitor. Src Inhibitor-1 is one of the 'gold standards' for Src kinase inhibition that has been shown to use PP1 or PP2 in parallel with Src-I1 to inhbit Src family kinases.


LINALYL ACETATE

A monoterpenoid that is the acetate ester of linalool. It forms a principal component of the essential oils from bergamot and lavender.


(R)-linalyl acetate

The (R)-enantiomer of linalyl acetate.


(S)-linalyl acetate

The (S)-enantiomer of linalyl acetate.


meta-hydroxyphenylhydracrylic acid

A hydroxy monocarboxylic acid that is propionic acid substituted by a hydroxy group at position 3 and a 3-hydroxyphenyl group at position 2. It is a metabolite of flavonoids and has been identified as one of the major phenolic acids in human urine.


METHYLISOTHIOCYANATE

An isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium.


The  flavonoid oxoanion formed by deprotonation of the 7-hydroxy function of wogonin.  Major structure at pH 7.3.


ortho-vanillin

A member of the class of benzaldehydes that is  salicylaldehyde substituted by a methoxy group at position 3.


A 1-(alk-1-enyl)-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1Z)-octadecenyl and (9Z)-octadecenoyl respectively; major species at pH 7.3.


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


A 1-(Z)-alk-1-enyl-2-acyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alk-1-enyl and acyl groups are specified as (1Z-octadecenyl) and arachidonoyl respectively.


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


Src Inhibitor-5

A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a 2-chloro-5-methoxyanilino group, at position 6 by a methoxy group and at position 7 by a 3-(morpholin-4-yl)propoxy group.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of D-ribofuranose-2,5-bisphosphate; major species at pH 7.3.


D-ribofuranose 5-phosphate(2-)

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


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


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


An acyl-CoA oxoanion arising from deprotonation of the phosphate, diphosphate and sulfinic acid functions of 3-sulfinopropionyl-CoA. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


A diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, one hydroxy and three methyl substituents. Intermediate in the biosynthetic pathway to the diterpenoid cyclooctatin.


bleomycin hydrochloride

The hydrochloride of bleomycin, a family of structurally related compounds produced by the bacterium Streptomyces verticillus.


fluorometholone acetate

A steroid ester resulting from the formal condensation of the 17-hydroxy function of fluorometholone with acetic acid. Used in the treatment of steroid responsive inflammatory conditions of the palpebral and bulbar conjunctiva, cornea, and anterior segment of the eye.


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


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 9,17-dioxo-1,2,3,4,10,19-hexanorandrostan-5-oyl-CoA; major species at pH 7.3.


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


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


(PHENYLSULFONYL)BENZENE

A sulfone compound having two S-phenyl substituents. It has been found in plants like Gnidia glauca and Dioscorea bulbifera.


manno-heptulose

A ketoheptose with a mannose configuration.


D-keto-manno-heptulose

The open chain form of D-manno-heptulose.


ARGIPRESTOCIN

A heterodetic cyclic peptide that is homologous to oxytocin and vasopressin. It is a pituitary hormone that acts as an endocrine regulator for water balance, osmotic homoeostasis and is involved in social and sexual behavior in non-mammalian vertebrates.


D-manno-heptulose

A manno-heptulose with a D-configuration. It has been found in avocados.


A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and propionyl respectively.


A 2-acyl-1-alkyl-sn-glycero-3-phosphocholine in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and butanoyl respectively.


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


cyclooctatin

A diterpenoid characterized by a 5-8-5 dodecahydrodicyclopenta[a,d]cyclooctene fused-ring system, with a single double bond and one isopropyl, two hydroxy, one hydroxymethyl and two methyl substituents.


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


chelerythrine

A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.


N(5)-phenyl-L-glutamine zwitterion

An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of N(5)-phenyl-L-glutamine; major species at pH 7.3.


An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate OH groups of 2-hydroxy-7-methoxy-5-methyl-1-naphthoyl-CoA; major species at pH 7.3.


A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of 2-deoxy-alpha-L-fucosylaclacinomycin S. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


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


An aromatic ether that is the 2-benzylphenyl ether of 2-(piperidin-1-yl)propanol.


A 2-acyl-1-alkyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl and the acyl groups at positions 1 and 2 are hexadecyl and acetyl respectively; major species at pH 7.3.


(R)-benproperine

A 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine that has R configuration. The racemate comprising equimolar amounts of (R)- and (S)-benproperine is used as a cough suppressant.


(S)-benproperine

A 1-[1-(2-benzylphenoxy)propan-2-yl]piperidine that has S configuration. The racemate comprising equimolar amounts of (R)- and (S)-benproperine is used as a cough suppressant.


A 1-alkyl-sn-glycero-3-phosphoethanolamine zwitterion in which the alkyl group at C-1 is specified as hexadecyl.


An ammonium ion resulting from the protonation of the nitrogen of (R)-benproperine.


An ammonium ion resulting from the protonation of the nitrogen of (S)-benproperine.


An ionic macromolecule obtained by deprotonation of the terminal carboxy group of poly(6-aminohexanoic acid).


A member of the class of benzoates obtained by deprotonation of the carboxy group of any 4-hydroxy-3-polyprenylbenzoic acid; major species at pH 7.3.


An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxoethylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and glyoxal.


An aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxopropylideneamino)uracil. Unstable mucosal-associated invariant T (MAIT)-activating antigen, formed by non-enzymatic reaction between 5-amino-6-D-ribitylaminouracil and methylglyoxal.


BUTENONE

The trans-isomer of  benzylideneacetone. It acts as an inhibitor of the enzyme phospholipase A2 (EC 3.1.1.4) of insects like diamond back moth.


cis-benzylideneacetone

The cis-isomer of benzylideneacetone.


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


ethyl (2S)-hydroxy(phenyl)acetate

The  (2S)-enantiomer of ethyl hydroxy(phenyl)acetate.


ethyl (2R)-hydroxy(phenyl)acetate

The (2R)-enantiomer of ethyl hydroxy(phenyl)acetate.


ethyl mandelate

A racemate comprising equimolar amounts of (R)- and (S)-ethyl mandelate.


name: PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER

description: A nucleoside triphosphate analogue that is GTP in which the oxygen atom bridging the beta- to the gamma- phosphate is replaced by a nitrogen atom A non-hydrolyzable analog of GTP, it binds tightly to G-protein in the presence of Mg(2+).


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


A long-chain primary fatty alcohol that is henicosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from the aerial parts of Siegesbeckia orientalis and from an Italian bread wheat variety, Pegaso, and its 11 near-isogenic lines.


A very long-chain primary fatty alcohol that is tricosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group. It has been isolated from bulbs of Polianthes tuberosa, bran from the Italian bread wheat variety Pegaso and its 11 near-isogenic lines, and from the aerial parts of Centaurea austro-anatolica.


cis-anethole

The cis-stereoisomer of anethole.


A member of the class of pyrimidobenzodiazepines that is 5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a 4-[(4-methylpiperazin-1-yl)piperidine-1-carbonyl]-2-methoxyanilino substituent. It is an inhibitor of the Parkinson's disease kinase LRRK2.


A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(morpholin-4-yl)phenyl and 2-(methanesulfonylamino)phenyl substituents. It is an inhibitor of the Parkinson's disease kinase LRRK2.


trioxilin anion

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


(R)-oxamniquine

A {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol that has R configuration.


(S)-oxamniquine

A {2-[(isopropylamino)methyl]-7-nitro-1,2,3,4-tetrahydroquinolin-6-yl}methanol that has S configuration.