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.


N-oleoyl-L-isoleucine

An L-isoleucine derivative resulting from the formal condensation of the carboxy group of oleic acid with the amino group of L-isoleucine.


A member of the class of  acetophenones that is acetophenone substituted by methoxy groups at positions 3, 4 and 5 respectively.


A methyl ketone that is octane substituted by an oxo group at position 2.


PHTHALIC ACID

A benzenedicarboxylic acid cosisting of two carboxy groups at ortho positions.


A beta-D-Xylp-(1->2)-D-GlcpA in which the carbon bearing the anomeric hydroxy group has beta configuration.


2-ethyl-3-hydroxybutyric acid

A 3-hydroxy monocarboxylic acid that is butyric acid substituted at positions 2 and 3 by ethyl and hydroxy groups respectively.


4-O-trans-caffeoylquinic acid

A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 4-hydroxy group of (+)-quinic acid.


ethyl (2R)-lactate

The (2R)-enantiomer of ethyl lactate.


The pyranose form of muramic acid.


(2S,3S)-trans-fertaric acid

A cinnamate ester obtained by formal condensation of the carboxy group of trans-ferulic acid with one of the hydroxy groups of D-tartaric acid.


ATTO 520-2(1+)

The cationic form of a fluorescent dye derived from a 3,6-bis(ethylamino)xanthene.


A glycoside that consists of an N-formyl-2-O-methyl-alpha-D-perosamine residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which is linked glycosidically to a 5-(methoxycarbonyl)pentyl group.


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.


trans-4-p-coumaroylquinic acid

A 4-p-coumaroylquinic acid in which the double bond adopts a trans-configuration.


acrolein

An enal that is prop-2-ene with an oxo group at position 1.


acetyl-L-lysine

An N-acetyl-L-amino acid that is the N-acetyl derivative of L-lysine.


L-alpha-amino acid

Any alpha-amino acid having L-configuration at the alpha-carbon.


gentiobiose octaacetate

An acetate ester formed by total acetylation of gentiobiose.


PESCAPREIN XXIII

A resin glycoside that is the pentasaccharide derivative of jalapinolic acid. Isolated from the aerial parts of Ipomoea pes-caprae, it has been found to exhibit potential inhibitory effect against multidrug resistance in the human breast cancer cell line.


(Z)-14-methylpentadec-2-enoic acid

An alpha,beta-unsaturated monocarboxylic acid that is cis-2-pentadecenoic acid in which one of the hydrogens at position 14 has been replaced by a methyl group.


FRUTICOSIDE B

A steroid acid that is ergosta-7,24(28)-dien-21-oic acid substituted by hydroxy groups at positions 2 and 3 and a methyl group at position 5 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa.


CHERMESINONE A

An  azaphilone that is 7,8-dihydro-6H-isochromene substituted by a hydroxy group at position 7, methyl groups at positions 3 and 7 and a 3-methyl-2-oxopentyl group at position 8. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.


A lipopeptide consisting of the methyl ester of a D-Phe-N-Me-L-Val-L-Ile-L-Phe-L-Ala hexapeptide, to the nitrogen of the D-phenylalanine residue of which is linked a C20 (icosanoyl) fatty-acyl chain. It is a major cell wall lipopeptide of Mycobacterium avium ssp. paratuberculosis (MAP), the causative agent of Johne's disease in cattle and other ruminants.


name: 3-[[2-[[5-[(4-cyanophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester


PF 1163B

A macrolide antibiotic that is 4,10-dimethyl-1-oxa-4-azacyclotridecane-2,5-dione substituted by a 4-(2-hydroxyethoxy)benzyl group at position 3 and a pentyl group at position 13 (the 3S,10R,13S stereoisomer). It is isolated from Penicillium sp.PF1163 and exhibits antifungal activity against the pathogenic fungal strain Candida albicans TIMM1768.


name: (2S)-4-methyl-2-[[oxo-[5-[oxo-[(phenylmethyl)amino]methyl]-1H-imidazol-4-yl]methyl]amino]pentanoic acid tert-butyl ester


2,2(1)-Dihydrobenzo[b]porphyrin-13,17-dipropanoic acid substituted by carboxy groups at positions 2(1) and 2(2), an ethenyl group at position 8, and methyl groups at positions 2, 7, 12 and 18 (the 2R,2(1)S-enantiomer).


saturated fatty ester C43H86O2

A fatty acid ester which is fully saturated and which contains a total of 43 carbon atoms.


A member of the class of  chalcones that is trans-chalcone substituted by a hydroxy group at position 4'.


peramivir

A member of the class of guanidines that is used (as its trihydrate) for the treatment of acute uncomplicated influenza in patients 18 years and older who have been symptomatic for no more than two days.


3-methylbutyl 2-hydroxypropanoate

A carboxylic ester obtained by the formal condensation of the carboxy group of 2-hydroxypropanoic acid  with the hydroxy group of isoamylol.


A hydroxytryptophan substituted by a hydroxy group at position 4 on the indole ring.


glycosylglucopyranuronic acid

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


name: 9-Octadecenoic acid (9Z)-, (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester


name: 4-(2-oxo-1-pyrrolidinyl)benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester


A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 10-hydroxydecanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.


pyrrole-2-carboxylic acid

A pyrrolecarboxylic acid that is 1H-pyrrole carrying a carboxy substituent at position 2.


tyrosine

An alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring.


(S)-imazaquin

A 2-[4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl]quinoline-3-carboxylic acid that has S-configuration.


A monocarboxylic acid in which the carbon of the carboxy group is directly attached to a C=C or C#C bond.


name: (+)-abscisic acid beta-D-glucopyranosyl ester

description: A (+)-abscisic acid D-glucopyranosyl ester that is derived from beta-D-glucopyranose.


A 3beta-sterol that is (24Z)-stigmasta-7,24(28)-diene which is substituted at the  3beta and 4alpha positions by hydroxy and formyl groups, respectively.


An optically active form of 4-hydroxytryptophan having L-configuration.


biliverdin delta

A linear tetrapyrrole obtained by the enzymic degradation of heme by Pseudomonas aeruginosa heme oxygenase.


A naphthochromene that is hexadecahydro-2H-naphtho[2,1-f]chromen-2-one which is substituted at position 3 by a hydroxymethylene group, at position 8 by a hydroxy group, and at positions 10a and 12a by methyl groups.


L-glucaric acid

The L-enantiomer of glucaric acid.


alpha-oxyketone

An oxyketone with the general formula R2C(=O) (R=/=H) where one or more of the R groups contains an oxy (-O-) group and the oxy and carbonyl groups are bonded to the same carbon atom.


A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 12-hydroxystearic acid.


mono(2-ethyl-5-oxohexyl) phthalate

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 2-ethyl-5-oxohexan-1-ol.


O-carbamoyl-L-serine

A non-proteinogenic L-alpha-amino acid that is the O-carbamoyl derivative of L-serine.


An enone that is pent-1-ene substituted by an oxo group at position 3.


An omega-hydroxy fatty acid ascaroside that derived from reaction of the omega-hydroxy group of (3R)-3,23-dihydroxytricosanoic acid with alpha-ascarylopyranose. It is a metabolite of the nematode Caenorhabditis elegans.


fatty acid 22:4

Any polyunsaturated fatty acid containing 22 carbons and 4 double bonds.


A hydroxy-L-lysine that is L-lysine carrying a hydroxy substituent at position 4.


An aliphatic alcohol that is nonan-1-ol carrying an oxo group at position 6.


aminobutanal

Any member of the class of  butanals carrying by at least one amino group on the butanal skeleton.


name: 2-amino-4-(2-furanyl)-3-thiophenecarboxylic acid ethyl ester


aminohydroxybutyric acid

A gamma-amino acid comprising 4-aminobutyric acid having a 2-hydroxy substituent.


2-(pentylsulfanyl)acetic acid

A C7 sulfur-containing carboxylic acid.


alclofenac

An aromatic ether in which the ether oxygen links an allyl group to the 4-position of (3-chlorophenyl)acetic acid.A non-steroidal anti-inflammatory drug, it was withdrawn from the UK market in 1979 due to concerns with its association with vasculitis and rash.


name: 1H-indole-3-carboxylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester


methyl-branched fatty acid 16:1(9Z)

Any monounsaturated methyl-branched fatty acid containing 16 carbons with a cis-double bond at position C-9.


A 1,3-thiazole that is 4,5-dihydro-1,3-thiazole which is substituted at positions 2 and 4 by an amino and a carboxy group, respectively.


(E)-11-methyldodec-2-enoic acid

An alpha,beta-unsaturated monocarboxylic acid that is trans-dodec-2-enoic acid in which one of the hydrogens at position 11 has been replaced by a methyl group.


(8E,12Z)-10-hydroperoxy-8,12-octadecadienoic acid with R-configuration at C-10.


A  hydroxylysine that is lysine substituted by a hydroxy group at position 4.


docosadienoic acid

Any polyunsaturated fatty acid containing 22 carbons and 2 double bonds


name: 13-(3-pentyl-2-oxiranyl)-(8Z,11Z)-8,11-tridecadienoic acid methyl ester


A fatty acid ester obtained by formal condensation of the carboxy group of oleic acid with the hydroxy group of 13-hydroxyoctadecanoic acid.


An alpha-amino acid consisting of L-alanine having a selenino group attached at the 3-position.


bilirubin IIIalpha

A biladiene that is a linear tetrapyrrole and a regioisomer of bilirubin IXalpha, in which the dipyrroles are of exovinyl type only.


A member of the class of tetracyclines obtained by selective hydroxylation at position 11a of tetracycline.


An azaphilone that is 7,8-dihydro-6H-isochromene substituted by a hepta-1,3,5-trien-1-yl group at position 3, a [3-hydroxybutanoyl]oxy group at position 7, a methyl group at position 7 and oxo groups at positions 6 and 8 respectively (the 3S,7S stereoisomer). A fungal metabolite, it is isolated from the fermentation broth of Penicillium solitum strain CT2108 and exhibits inhibitory activity against fatty acid synthase as well as fungicidal activity.


N-phenylglycine

A glycine carrying an N-phenyl substituent.


bromobenzoic acid

Any benzoic acid carrying at least one bromo substituent on the benzene ring.


26-oxohexacosanoic acid

The omega-oxo fatty acid obtained by oxygenation at position 26 of hexacosanoic acid.


2,6-dimethoxyphenol acetate

An acetate ester that is phenyl acetate substituted by methoxy groups at positions 2 and 6 respectively.


name: N-(4-phenylmethoxyphenyl)carbamic acid methyl ester


2,5-dihydroxycinnamic acid methyl ester

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


3,5-dimethylbenzoic acid

A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5.


A phenylalanine derivative that is phenylalanine substituted by an azido group at position 4.


A cyclopropane substituted at positions 1 and 2 by methylene and acetyl groups respectively.


A steroid glycoside isolated from the roots of Cynanchum auriculatum and has been shown to exhibit cytotoxicity against human tumour cell lines.


fidaxomicin

An 18-membered macrolide that is a fermentation product obtained from the Actinomycete Dactylosporangium aurantiacum. A narrow spectrum antibiotic used for treatment of Clostridium difficile-related infections.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 7-hydroxyheptanoic acid with ascarylopyranose (the alpha anomer).  It is a metabolite of the nematode Caenorhabditis elegans.


IPOMOTAOSIDE B

A resin glycoside that is the tetrasaccharide derivative of jalapinolic acid. It has been isolated from Ipomoea batatas.


A hydroxyaldehyde in which the hydroxy group is at C-7 of (2E,4E,6E)-4-methylhepta-2,4,6-trienal.


hydroperoxyoctadecatrienoic acid

A octadecanoid that is any octadecatrienoic acid carrying a single hydroperoxy substituent (position unspecified).


(2R,3S)-trans-coutaric acid

A cinnamate ester obtained by formal condensation of the carboxy group of trans-coumaric acid with one of the hydroxy groups of meso-tartaric acid.


17-(4-hydroxyphenyl)heptadecanoic acid

A monocarboxylic acid that is heptadecanoic acid in which one of the terminal methyl hydrogens is replaced by a 4-hydroxyphenyl group.


QUINCLORAC

A quinolinemonocarboxylic acid that is quinoline-8-carboxylic acid in which the hydrogens at positions 3 and 7 have been replaced by chlorines. It is used (particularly as its dimethylamine salt, known as quinclorac-dimethylammonium) as a (rather persistent) herbicide for the post-emergence control of weeds in rice, grass and turf. It is not approved for use within the European Union.


N-hydroxy-L-tetrahomomethionine

An N-hydroxy-L-polyhomomethionine in which there are six methylene groups between the alpha-carbon and sulfur atoms.


monoisopropyl phthalate

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isopropanol.


name: 4-[[4-[[[(2-methoxyethylamino)-sulfanylidenemethyl]hydrazinylidene]methyl]phenoxy]methyl]benzoic acid methyl ester


1'-acetoxyeugenol acetate

An acetate ester that is eugenol acetate substituted by an acetoxy group at position 1.


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


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

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


A methylbutanal in which the methyl substituent is at position 2.


A steroid glucosiduronic acid that is hyodeoxycholic acid having a single beta-D-glucuronic acid residue attached at position 6.


(2,6-dihydroxyphenyl)acetic acid

A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 2- and 6-positions.


name: 4-[[(4-bromo-2-ethyl-3-pyrazolyl)-oxomethyl]amino]benzoic acid propan-2-yl ester


N-acylglycine 16:0

An N-acylglycine in which the acyl group contains 16 carbons and is fully saturated.


methyl 12-methyltetradecanoate

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


A 4-(3-hydroxy-1-benzothiophen-2-yl)-2-oxobut-3-enoic acid in which the acyclic double bond has E-geometry.


A tetrapeptide that is an IAP antagonist.


lamellarin alpha 20-hydrogen sulfate

A heterocyclyl sulfate that acts as a HIV-1 integrase inhibitor.


L-lupinic acid

The L-enantiomer of lupinic acid.


A macrolide that is a 14-memebered macrocycle fused to a 1,3-dihydroxybenzene. Isolated from Fungi, it exhibits inhibitory activity against  NF-kappaB.


indole-1-acetic acid

An indolyl carboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by an indol-1-yl group.


3-oxodecanoic acid

An oxo fatty acid that is the 3-oxo derivative of decanoic acid.


ANANOLIGNAN M

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.


name: 2-[4-(difluoromethylthio)anilino]benzoic acid [2-(dimethylamino)-2-oxoethyl] ester


oxodocosahexaenoic acid

An oxo fatty acid that consists of docosahexaenoic acid (DoHE) carrying one or more oxo substituents.


A member of the class of  naphthaldehydes that is naphthalene-2-carbaldehyde substituted by a hydroxy group at position 1.


A  lignan that is 2,3-dimethylbutyl acetate substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 4. It has been isolated from the bark of Machilus robusta.


acetone d6

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


O-methylserine

A serine derivative that is L-serine with a methyl group replacing the hydrogen on the hydroxy side chain.


reedsmycin E

A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64.


deamino-alpha-neuraminic acid

Deaminoneuraminic acid in which the anomric configuration is alpha.


COMAZAPHILONE B

An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy group at position 6, a methyl group at position 7, an oxo group at position 8, a propyl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. It has been isolated from Penicillium commune.


oxo fatty acid

Any fatty acid containing at least one aldehydic or ketonic group in addition to the carboxylic acid group.


bufadienolide glycoside

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


sinapoyltartronic acid

The ester obtained from formal condensation of sinapic acid and hydroxymalonic acid.


DIHYDROXANTHOHUMOL

A member of the class of dihydrochalcones that is the alpha,beta-dihydro derivative of xanthohumol. Isolated from Humulus lupulus, it exhibits inhibition of NO production.


2,6-dioxo-6-phenylhexa-3-enoic acid

A dioxo monocarboxylic acid that is 6-phenylhexa-3-enoic acid bearing oxo substituents at position3 2 and 6.


N-methyl-L-isoleucine

An N-methyl-L-amino acid that is L-isoleucine in which one of the hydrogens attached to the alpha-nitrogen is substituted by a methyl group.


dialdehyde

Any aldehyde with two aldehyde groups.


A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-[(2-hydroxycyclopentyl)methyl]phenyl group (the 2S,1'R,2'S-stereoisomer. The active metabolite of loxoprofen.


methyl cis-10-pentadecenoate

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of cis-10-pentadecenoic acid with the hydroxy group of methanol.


coumestan

A member of the class of coumestans that is 6H-[1]benzofuro[3,2-c]chromene substituted by an oxo group at position 6.


SQ 26,992

A 1,3-thiazole that is obtained via biohydrolysis of the beta-lactam ring of aztreonam.


(11R)-11-hydroperoxylinoleic acid

A linoleic acid hydroperoxide in which the hydroperoxy substituent is located at position 11R.


name: 4-[[1-oxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid methyl ester


A 2-oxo monocarboxylic acid that is pyruvic acid in which two of the methyl hydrogens are substituted by phenyl and hydroxy groups (the S-enantiomer).


name: 4-methylbenzoic acid [[amino-(4-bromophenyl)methylidene]amino] ester


hydroxymalonic acid

A dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2.


danielone

An aromatic ketone that is 2-hydroxy-1-phenylethanone substituted by a hydroxy group at position 4 and methoxy groups at positions 3 and 5. It is a phytoalexin isolated from the papaya fruit and exhibits antifungal activity.


A carbamate ester, the structure of which is that of carbamic acid esterified with 4-carboxybenzyl alcohol and substituted on nitrogen by a 3-(dimethylcarbamoyl)bicyclo[2.2.2]oct-1-yl group.


(S)-methylmalonaldehydic acid

A 2-methyl-3-oxopropanoic acid that has S-configuration.


An omega-hydroxy fatty acid ascaroside that is bhos#18 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans.


aminohippuric acid

An N-acylglycine that is the 4-amino derivative of hippuric acid; used as a diagnostic agent in the measurement of renal plasma flow.


3-aminoisobutyric acid

A beta-amino-acid that is isobutyric acid in which one of the methyl hydrogens is substituted by an amino group.


A ketoaldonolactone obtained by formal intramolecular condensation between the carboxy group and the 4-hydroxy group of L-xylo-hex-2-ulonic acid.


name: 5-methyl-2-(2-phenylethylamino)-4-thiazolecarboxylic acid ethyl ester


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


A member of the class of tetracyclines that is anhydrotetracycline in which the dimethylamino group at position 4 has been replaced by a keto group.


tauropine

A derivative of L-alanine having a 2-sulfoethyl group attached to the alpha-nitrogen.


(R)-2-(phosphonomethyl)malic acid

A dicarboxylic acid that is succinic acid in which the methylene hydrogens at position 2 have been replaced by phosphonomethyl and hydroxy groups (the R-enantiomer).


AHPN

A naphthoic acid that is 6-phenylnaphthylene-2-carboxyic acid in which the phenyl substituent has been substituted at positions 3 and 4 by adamant-1-yl and hydroxy groups, respectively. It acts as a selective agonist of retinoic acid receptor (RAR)gamma and induces cell cycle arrest and apoptosis in various cancer cells.


2-deoxy-D-gluconic acid

A derivative of D-gluconic acid lacking the 2-hydroxy group.


griseophenone B(2-)

Conjugate base of griseophenone B; major microspecies at pH 7.3.


ochratoxin alpha(1-)

Conjugate base of ochratoxin alpha; major species at pH 7.3.


2-ethylsuccinic acid

An alpha,omega-dicarboxylic acid that is succinic acid substituted by an ethyl group at position 2.


FLUOROACETATE

A haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.


curtisian A

A para-terphenyl that consists of 1,4-diphenylbenzene substituted by acetyloxy groups at positions 3', 5' and 6', hydroxy groups at positions 4 and 4'' and a benzyloxy group at position 2'. It is isolated from the fruit body of the mushroom Paxillus curtisii and exhibits radical scavenging activity.


A pyrazolopyrazole that is 6,7-dihydro-1H,5H-pyrazolo[1,2-a]pyrazole-3-carboxylic acid which has been substituted at positions 2, 5 and 6 by methylsulfonyl, oxo, and amino groups, respectively, and in which the amino group has been condensed with the carboxy group of (2-amino-1,3-thiazol-4-yl)(oxo)acetic acid, the oxo group of which has been converted to the corresponding oxime O-allyl ether.


10-heptadecenoic acid

A heptadecenoic acid having its double bond in the 10-position.


3-oxo fatty acid

Any oxo fatty acid in which an oxo substituent is located at position 3.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-9-hydroxynon-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


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.


The N(6)-hydroxy derivative of L-lysine.


phenethyl isobutyrate

A carboxylic ester obtained by the formal condensation of 2-phenylethanol with  isobutyric acid.


4-hydroxybenzoate ester

A benzoate ester that is an ester of 4-hydroxybenzoic acid.


GUTTIFERONE F

A member of the class of benzophenones isolated from the stem bark of  Allanblackia stuhlmannii and has been shown to exhibit antileishmanial and anticholinesterase activity.


methyl 4-nitrophenylalaninate

A phenylalanine derivative that is methyl phenylalaninate substituted by a nitro group at position 4 on the benzene ring.


callysponginol sulfonic acid A

A carboxyalkyl sulfate that is tetracos-17-en-3-ynoic acid substituted by a sulfooxy group at position 2 (the 2R,17Z stereoisomer).


name: 2-cyano-4-(1-methyl-4-pyridinylidene)-2-butenoic acid ethyl ester


name: 4-[[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester


diphenylamine-2-carboxylic acid

An aminobenzoic acid that is the N-phenyl derivative of  anthranilic acid. It acts as a parent skeleton for the synthesis of several non-steroidal anti-inflammatory drugs.


L-BMAA

A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a methylamino group. A non-proteinogenic amino acid produced by cyanobacteria, it is a neurotoxin that has been postulated as a possible cause of neurodegenerative disorders of aging such as Alzheimer's disease, amyotrophic lateral sclerosis, and the amyotrophic lateral sclerosis/parkinsonism-dementia complex (ALS-PDC) syndrome of Guam.


An Aspidosperma alkaloid that is hoerhammericine in which the hydroxy group at position 19 has been converted to the corresponding acetate ester. Note the stereoconfiguration of the epoxy group is based on CHEBI:144374, and that of the 19-acetoxy group on the hydroxy group of CHEBI:144372.


name: 2-amino-4-(4-chlorophenyl)-6-(hydroxymethyl)-8-oxo-4H-pyrano[3,2-b]pyran-3-carboxylic acid ethyl ester


ethyl cyclohexanecarboxylate

An ethyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with ethanol.


methyl cinnamate

A methyl ester resulting from the formal condensation of methyl cinnamic acid with methanol. It is found naturally in the essential oils of Alpinia and Basil leaf oil, and widely used in the flavor and perfume industries.


ACETIC ACID PENTYL ESTER

An acetate ester of pentanol.


A deoxygluconolactone that results from the cyclisation and formal condensation of the carboxy group of 2-amino-2-deoxy-D-gluconic acid with its 5-hydroxy group. It is a sex pheromone found in the urine of female blue crabs, Callinectes sapidus.


name: 4-(dimethylamino)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester


A brassinosteroid that is castasterone carrying an additional hydroxy substituent at position 26.


name: (7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid peptidyl-aspartate ester

description: A carboxylic ester resulting from the formal condensation of the alcoholic hydroxy group of (7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid with the free carboxy group of a peptidyl aspartate.


aspergillide A

A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1R,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).


dicarboxylic fatty acid

Any fatty acid containing two carboxy groups.


name: 4-[2-(4-methoxycarbonylphenyl)iminohydrazinyl]benzoic acid methyl ester


(+)-flavipucine

An antimicrobial and cytotoxic natural product isolated from the mycophylic fungus Cladobotryum rubrobrunnescens.


name: 2-(2-furanylmethylamino)benzoic acid [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] ester


ethyl 9-decenoate

The fatty acid ethyl ester of dec-9-enoic acid.


name: 2-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]benzoic acid methyl ester


ibuprofen

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


deoxygluconolactone

An aldonolactone derived from glucose with one or more of the hydroxy groups replaced by hydrogen.


oxaluric acid

A 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom.


formobactin

A  cyclic hydroxamic acid derivative and antibiotic isolated from Nocardia sp. strain ND20. It exerts an inhibitory effect on lipid peroxidation and also has a potent protecting effect on neuronal cells.


(2S)-homocitric acid

The (S)-enantiomer of homocitric acid.


(Z)-3-hydroxydec-2-enedioic acid

A dicarboxylic acid that is dec-2-enedioic acid substituted at position 3 by a hydroxy group (the Z-geoisomer).


A biladiene that is the 15-oxo derivative of beta-bilirubin.


TRIFLOXYSTROBIN

The methyl ester of (2E)-(methoxyimino)[2-({[(E)-{1-[3-(trifluoromethyl)phenyl]ethylidene}amino]oxy}methyl)phenyl]acetic acid. A foliar applied fungicide for cereals which is particularly active against Ascomycetes, Deuteromycetes and Oomycetes


trans-10-heptadecenoic acid

The trans-isomer of 10-heptadecenoic acid.


A fatty acid amide resulting from the formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the amino group of glycine.


A member of the class of chalcones that is chalcone substituted by hydroxy groups at positions 2', 3, 4, 4', and 6'.


A cholesterol ester in which the acyl group contains 22 carbons in total and 2 double bonds.


ANANOLIGNAN E

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.


zofenopril

A proline derivative that is 4-(phenylsulfanyl)-L-proline in which the amine proton is replaced by a (2S)-3-(benzoylsulfanyl)-2-methylpropanoyl group. A prodrug for zofenoprilat.


An 8-decenal in which the double bond has Z configuration.


N-acylglycine 18:0

An N-acylglycine in which the acyl group contains 18 carbons and is fully saturated.


streptothricin

An N-glycosyl compound consisting of 2-amino-4-O-carbamoyl-2-deoxy-N-[(3aS,7R,7aS)-7-hydroxy-4-oxooctahydro-2H-imidazo[4,5-c]pyridin-2-ylidene]-beta-D-gulopyranosylamine in which the amino group at position 2 of the gulopyranosyl moiety is acylated by a peptide unit made up of between 1 and 7 N(epsilon)-linked units of beta-lysine.


3-hydroxy carboxylic acid

Any hydroxy carboxylic acid which contains a hydroxy group located beta- to the carboxylic acid group.


A glycosyloxyflavone that consists of kaempferol attached to a 2-E-p-coumaroyl-alpha-L-rhamnopyranosyl moiety at position 7 via a glycosidic linkage. Isolated from the flowers and fruits of Tetrapanax papyriferus, it exhibits antineoplastic activity.


butanone

Any  ketone that is butane substituted by an oxo group at unspecified position.


monoisobutyl phthalate

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of isobutanol.


METALAXYL

A racemate comprising equal amounts of (R)- and (S)-metalaxyl. A systemic fungicide, it is active against phytopathogens of the order Peronosporales and is used to conrtrol Pythium in a number of vegetable crops.


enol-phenylpyruvic acid

A 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position.


AZASERINE

A carboxylic ester resulting from the formal condensation of the carboxy group of diazoacetic acid with the alcoholic hydroxy group of L-serine. An antibiotic produced by a Streptomyces species.


D-glyceric acid

The D-enantiomer of glyceric acid.


An indolyl carboxylate ester that is methyl 1H-indole-2-carboxylate substituted by a 4-chlorobenzyl group at position 1 and a methylsulfonyl group at position 5. It acts as a selective inhibitor of cyclooxygenase 2.


(S)-1'-methylbutyl caffeate

An alkyl caffeate ester obtained by the formal condensation of trans-caffeic acid with  2-pentanol. Isolated from the leaves of Piper sanguineispicum, it has been shown to exhibit antileishmanial activity.


JASPAMIDE K

A cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity.


UK 63052

A cyclodepsipeptide antibiotic that is isolated from Streptomyces sp. SNA15896 and also exhibits antitumour activity.


polyunsaturated dicarboxylic acid

A dicarboxylic acid having 2 or more units of unsaturation.


name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-[[oxo(thiophen-2-yl)methyl]amino]phenyl] ester


O,O'-DIMETHYLCAFFEIC ACID

A methoxycinnamic acid that is trans-cinnamic acid substituted by methoxy groups at positions 3' and 4' respectively.


methylglyoxal-lysine dimer

An imidazolium ion formed via cyclo-dimerisation of L-lysine and methylglyoxal.


N-acetyl-D-glucosaminic acid

The N-acetyl derivative of D-glucosaminic acid.


RUTAMYCIN

An oligomycin with formula C44H72O11 that is oligomycin A in which the methyl substituent adjacent to the spirocyclic centre has been replaced by a hydrogen.


A 20-oxo steroid that is pregnenolone carrying an additional hydroxy substituent at the 7alpha-position.


ACETOPHENONE

A methyl ketone that is acetone in which one of the methyl groups has been replaced by a phenyl group.


A dicarboxylic acid that is succinic acid substituted at position 2 by an acetamidomethylidene group and at position 3 by a hydroxymethyl group.


hydroperoxy fatty acid

Any fatty acid carrying one or more hydroperoxy substituents.


A methylhistidine in which the methyl group is located at N-1.


aspalathin

A member of the class of dihydrochalcones that is the 2-C-beta-D-glucopyranide of phloroglucinol and which is substituted at position 4 by a 3-(3,4-dihydroxyphenyl)propanoyl group. A metabolite of red bush, Aspalathus linearis (and present in the herbal tea made from the leaves), aspalathin exhibits significant hypoglycemic activity.


ethyl sorbate

A fatty acid ester obtained by formal condensation of the carboxy group of sorbic acid and the hydroxy group of ethanol.


A 2-hydroxyhexadecanal having R configuration.


name: 4-[[1-azepanyl(oxo)methyl]amino]benzoic acid ethyl ester


name: N-(hexadecanoyl)-2-aminobutyric acid methyl ester (C16:0-NABME)


An HPODE (hydroperoxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z  geometry, respectively) and the hydroperoxy group is at position 13.


name: 2-(methylamino)benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester


ethyl trans-caffeate

An ethyl ester resulting from the formal condensation of the carboxy group of trans-caffeic acid with ethanol.


sulbactam pivoxyl

A penicillanic acid ester that results from the formal condensation of the carboxy group of sulbactam with the hydroxy group of hydroxymethyl 2,2-dimethylpropanoate. It is a prodrug of the beta-lactamase inhibitor sulbactam.


name: 1H-indole-3-carboxylic acid, 1-(1,1-dimethyl-2-propenyl) methyl ester


name: (S)-2-trans-abscisic acid beta-D-glucopyranosyl ester

description: An (S)-2-trans-abscisic acid D-glucopyranosyl ester derived from beta-D-glucopyranose.


WITHALONGOLIDE M

A steroid saponin that is the monosaccharide derivative of the 19-norwithanolide. It has been isolated from the aerial parts of Physalis longifolia.


hydroperoxy polyunsaturated fatty acid

Any polyunsaturated fatty acid carrying one or more hydroperoxy substituents.


monomethyl adipate

A dicarboxylic acid monoester that is the monomethyl ester of adipic acid.


streptothricin D acid

The streptothricin acid obtained by hydrolysis of the lactam group of streptothricin D.


An L-alpha-amino acid that is L-serine in which the hydroxy group at position 3 is converted to the corresponding 2-aminoethyl ether. An antimetabolic antibiotic obtained from Streptomyces reseoviridofuscus.


beta-naphthyl N-acetylphenylalaninate

An alpha-amino acid ester obtained by the fromal condensation of N-acetylphenylalanine with 2-naphthol.


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.


A  4-hydrox-L-lysine that is L-lysine substituted at position 4 by a hydroxy group (the 4R-threo-stereoisomer).


An aromatic ketone that is norbornane with 2-endo-amino, 2-exo-benzoyl and 3-exo-phenyl substituents.


An amino disaccharide consisting of alpha-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-alpha-D-glucopyranose residues joined in sequence by a (1->4) glycosidic bond.


A ketone that is hexan-2-one in which one of the hydrogens at position 5 is replaced by a hydroxy group.


(3R)-3-isopropenyl-6-oxoheptanoic acid

An optically active form of 3-isopropenyl-6-oxoheptanoic acid having (3R)-configuration.


A peptide and carboxamide that is L-leucyl-L-phenylalaninamide, L-Leu-L-Phe-NH2, which has been acylated on the N-terminus by a Phe-Phe hydroxyethylene dipeptide isotere,  2R-benzyl-5S-tert-butoxycarbonylamino-4R-hydroxy-6-phenylhexanoic acid. Compounds based on the structure of L-685,458 are potent inhibitors of gamma-secretase, which mediates the final catalytic step that generates the amyloid beta-peptide (Abeta), which assembles into the neurotoxic aggregates in the brains of sufferers of Alzheimer's disease.


Any 3beta-hydroxy steroid which is substituted at the 4alpha and 4beta positions by methyl and formyl groups, respectively.


thioester

A compound of general formula RC(=O)SR'. Compare with thionoester, RC(=S)OR'.


name: 4-(diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester


22,23-dihydroavermectin B1a

A macrocyclic lactone that is avermectin B1a in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the major component of ivermectin.


8-HPETE methyl ester

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


The cis-isomer of 3-hexenal.


(3R)-3-amino-4-hydroxybutanoic acid

A beta-amino acid that is butanoic acid substituted by an amino group at position 3 and a hydroxy group at position 4.


branched-chain amino acid

Any  amino acid  in which the parent hydrocarbon chain has one or more alkyl substituents


demethoxycurcumin

A beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior.


ethyl 11-methyldodec-2-enoate

An enoate ester resulting from the formal condensation of the carboxy group of 11-methyldodec-2-enoic acid with the hydroxy group of ethanol.


A 2-amino-Delta(2)-thiazoline-4-carboxylic acid that has R configuration.


A non-proteinogenic L-alpha-amino acid that is L-tryptophan in which the hydrogen at position 5 of the indole ring has been replaced by a chlorine.


name: 4-[3-methyl-5-(4-methylphenyl)-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-4-yl]benzoic acid methyl ester


A cyclopentenyl fatty acid composed of 6-tridecenoic acid having a 2-cyclopentenyl ring at position 13.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-12-hydroxydodec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


dihydroprecondylocarpine acetate

An organic cation which is an intermediate in the biosynthetic pathway leading to the synthesis of the monoterpenoid indole alkaloids, catharanthine and tabersonine.


N-hydroxytrihomomethionine

An N-hydroxy-alpha-amino acid having a 6-thiaheptyl substituent at the 2-position.


syringic acid acetate

A phenyl acetate obtained by the formal condensation of hydroxy group of syringic acid with acetic acid.


thiomarinol D

An organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria.


A glycosyloxyflavone that is luteolin substituted by a 6-O-malonyl-beta-D-glucopyranosyl moiety at position 7 via glycosidic linkage.


name: benzoic acid [2-methoxy-5-[[[(3-nitrophenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester


tricin 7-O-[sinapoyl]-glucoside

A glycosyloxyflavone that is tricin 7-O-glucoside with the hydroxy group on the glycosyl ring at position 6 replaced with a sinapoyl moiety.


aspergillide B

A macrolide that is 4,15-dioxabicyclo[9.3.1]pentadec-9-en-3-one substituted by a hydroxy group at position 14 and a methyl group at position 5 (the 1S,5S,9E,11R,14S stereoisomer). It is isolated from the marine-derived fungus Aspergillus ostianus and exhibits cytotoxic activity against mouse lymphocytic leukemia cells (L1210).


3-sulfolactic acid

The C-sulfonato derivaive of lactic acid.


A hydroxamic acid that is N-methylpyrrole which is substituted at positions 2 and 5 by 3-(hydroxyamino)-3-oxoprop-1-en-1-yl and 3-(m-fluorophenyl)-3-oxoprop-1-en-1-yl groups, respectively. It is a potent and selective inhibitor of class II (IIa) histone deacetylase (HDAC II).


trierixin

A 21-membered macrocycle isolated from the fermentation broth of Streptomyces sp.AC654. It exhibits antineoplastic activity.


BENZOPHENONE

The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.


An omega-6 fatty acid that is tetratriacontanoic acid having four double bonds located at positions 19, 22, 25 and 28 (the 15Z,18Z,21Z,24Z-isomer).


A monounsaturated fatty acid anion resulting from the deprotonation of the carboxy group of (9Z)-18-hydroxyoctadec-9-enoic acid 18-O-sophoroside. The major species at pH 7.3


hederacine A

An alklaoid isolated from Glechoma hederaceae.


3-(indol-3-yl)lactic acid

A hydroxy monocarboxylic acid that is lactic acid substituted by a 1H-indol-3-yl group at position 3. It is a metabolite of tryptophan.


2,4-diaminobutyric acid

A diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups.


(R)-hydratropic acid

The (R)-enantiomer of hydratropic acid.


fatty acid ethyl ester

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


3-AMINOBENZOIC ACID

An aminobenzoic acid carrying an amino group at position 3.


ETHYLMALONATE

A dicarboxylic acid obtained by substitution of one of the methylene hydrogens of malonic acid by an ethyl group.


tetradecanoate ester

A fatty acid ester obtained by condensation of the carboxy group of tetradecanoic acid (also known as myristic acid) with a hydroxy group of an alcohol or phenol.


An methyl ketone that is octan-2-one carrying a double bond at position 7.


DODECANOIC ANHYDRIDE

An acyclic carboxylic anhydride resulting from the formal condensation of the carboxy groups of two molecules of dodecanoic acid.


tensyuic acid E

A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 7-(methoxycarbonyl)heptanyl group. The (+)-isomer, isolated from Aspergillus niger FKI-2342.


JASPLAKINOLIDE B

A cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it exhibits anti-tumour activity.


amomol B

An oxaspiro compound that is 1-oxaspiro[4.5]deca-6,9-dien-8-one substituted by a (2R)-2-hydroxyheptadecyl moiety and a methoxy group at position 2. A natural product found in Amomum aculeatum.


A 3beta-hydroxy-Delta(5)-steroid that is pregnenolone carrying an oxo group at position 7.


isopropyl ester

Any carboxylic ester resulting from the formal condensation of a carboxylic acid with the hydroxy group of propan-2-ol.


name: 2-thiophenecarboxylic acid [[amino-(2-methylphenyl)methylidene]amino] ester


A cholesterol ester obtained by the formal condensation of  cholesterol with all-cis-5,8,11,14,17-icosapentaenoic acid.


A glycoside consisting of D-glyceric acid having an alpha-D-glucosyl-(1->6)-alpha-D-glucosyl residue attached at position 2 via a glycosidic linkage.


3-hydroxysebacic acid

An alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3.


name: 2-chloro-3-pyridinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester


SN-38 carboxylic acid

A 2-hydroxy monocarboxylic acid resulting from the hydrolysis of the delta-lactone ring of SN-38. It is a metabolite of SN-38.


name: 3-[(4R,5R)-4-carbamoyl-2-[4-(3-hydroxypropoxy)phenyl]-5-phenyl-5H-oxazol-4-yl]propanoic acid tert-butyl ester


CYCLOLEUCINE

A non-proteinogenic alpha-amino acid that is cyclopentane substituted at position 1 by amino and carboxy groups.


N-(fatty acyl)-L-alpha-amino acid

An N-acyl-L-alpha-amino acid resulting from the formal condensation of the carboxy group of any fatty acid with the amino group of any L-amino acid.


butanals

An aldehyde based on a butanal skeleton and its substituted derivatives.


(1S)-isoindoline-1-carboxylic acid

A non-proteinogenic alpha-amino acid in which benzene is ortho-fused onto the C-3-C-4 bond of L-proline.


An omega-hydroxy fatty acid ascaroside that is oscr#34 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.


mono(2-ethyl-5-hydroxyhexyl) phthalate

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the primary hydroxy group of 2-ethylhexane-1,5-diol


name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester


A monohydroxyacetophenone that is acetophenone in which one of the hydrogens ortho to the acetyl group has been replaced by a hydroxy group.


N-tridecanoylglycine

An N-acylglycine with an acyl group that is tridecanoyl.


D-mannosyl-D-glyceric acid

A D-mannoside of D-glyceric acid.


A 2-(D-glucosyloxy)benzoic acid with beta configuration at the anomeric centre.


dodecatetraenedioic acid

A  alpha,omega-dicarboxylic acid that is a C12 acid having four double bonds at unspecified positions in the chain.


ANANOLIGNAN H

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.


name: Nonaneperoxoic acid, 1,1-dimethylethyl ester


name: 2-[(4-methylphenyl)-oxomethyl]benzoic acid [2-(3-nitroanilino)-2-oxoethyl] ester


carbaryl

A carbamate ester obtained by the formal condensation of  1-naphthol with methylcarbamic acid.


A  diarylheptanoid that is 3-heptanone substituted  by a 4-hydroxyphenyl group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma kwangsiensis.


A monocarboxylic acid that is phenylacetic acid in which the hydrogen at position 3 on the benzene ring is replaced by a hydroxy group.


A cyclitol ester that is 1L-myo-inositol bearing a indol-3-acetyl substituent at position 1.


BENTHIAVALICARB-ISOPROPYL

A carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide.


name: 4-HYDROXYHYDROCINNAMIC ACID METHYL ESTER

description: A methyl ester resulting from the formal condensation of the carboxy group of phloretic acid with methanol. It is a nitrification inhibitor and a plant growth regulator.


A fatty acid ester obtained by formal condensation of the carboxy group of (9Z)-hexadecenoic acid with the hydroxy group of 9-hydroxyoctadecanoic acid.


name: 4-chloro-3-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester


carbetamide

A carbamate ester obtained by the formal condensation of  phenylcarbamic acid with the hydroxy group of N-ethyl-2-hydroxypropanamide.


A carboxylic ester resulting from the formal condensation of phenylacetic acid with (3S)-3,7-dimethyloct-7-en-1-ol.


monopentyl phthalate

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of pentanol.


iloprost

A carbobicyclic compound that is prostaglandin I2 in which the endocyclic oxygen is replaced by a methylene group and in which the (1E,3S)-3-hydroxyoct-1-en-1-yl side chain is replaced by a (3R)-3-hydroxy-4-methyloct-1-en-6-yn-1-yl group. A synthetic analogue of prostacyclin, it is used as the trometamol salt (generally by intravenous infusion) for the treatment of peripheral vascular disease and pulmonary hypertension.


name: N-(4-chlorophenyl)carbamic acid 2-pyridinylmethyl ester


A phenylalanine derivative that is methyl 4-nitrophenylalaninate substituted by a tert-butoxycarbonyl group at the amino nitrogen.


ISOTETRAHYDROAUROGLAUCIN

A member of the class of benzaldehydes that is benzaldehyde substituted by hydroxy groups at positions 3 and 6, a prenyl group at position 5 and a a hept-5-en-1-yl at position 2. Isolated from Chaetomium globosum and other fungal species, it exhibits radical scavenging activities.


name: 2-[[2-[(1-cyclohexyl-5-tetrazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester


3-hydroxy-L-glutamic acid

An amino dicarboxylic acid that is L-glutamic acid substituted by a hydroxy group at position 3.


name: heptanoic acid (2,2,6,6-tetramethyl-4-piperidinyl) ester


N-hydroxy-L-isoleucine

An N-hydroxyamino acid that is derived from L-isoleucine.


alliin

An L-alanine derivative in which one of the methyl hydrogens of L-alanine has been replaced by an (S)-allylsulfinyl group.


AROXYBUTYNIN

A 4-(diethylamino)but-2-yn-1-ol that has R configuration. It is responsible for virtually all of the antimuscarinic activity of (racemic) oxybutynin.


acremoauxin A

An indolyl carboxylate ester obtained by formal condensation of one of the primary hydroxy groups of D-arabinitol with the carboxy group of (2R)-2-(indol-3-yl)propanoic acid.


A amino disaccharide consisting of N-acetylneuaminic acid and D-galactopyranose joined by a (2->3) glycosidic bond.


An anthocyanin cation that is malvidin substituted at position 3 by a 6-O-(E-caffeoyl)-beta-D-glucosyl residue.


hydroxy monocarboxylic acid

Any monocarboxylic acid which also contains a separate (alcoholic or phenolic) hydroxy substituent.


trans-2,3-unsaturated fatty aldehyde

A fatty aldehyde with a trans-double bond at carbon 2.


name: 4-methoxybenzoic acid [1-(2-thiazolyl)ethylideneamino] ester


name: 3-[[2-[[4-ethyl-5-[(4-methylanilino)methyl]-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester


(1-hydroxycyclohexyl)acetic acid

A 3-hydroxy monocarboxylic acid consisting of cyclohexane carrying carboxymethyl and hydroxy substituents both at the 1-position.


S-glycyl-L-cysteine

An N-acyl-L-amino acid that is the S-glycyl derivative of L-cysteine.


20-HYDROXYTUBOCAPSANOLIDE A

A withanolide that is the 20-hydroxy derivative of tubocapsanolide A. Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity.


2-dehydropantoic acid

An oxo monocarboxylic acid that is 2-oxobutanoic acid in which both of the hydrogens at position 3 are substituted by methyl groups and one of the hydrogens at position 4 is substituted by a hydroxy group.


benzophenones

Any aromatic ketone in which the carbonyl group is bonded to 2 phenyl groups.


palmityl stearate

A  wax ester obtained by the formal condensation of palmityl alcohol with stearic acid.


N-acylserine 18:2

An N-acylserine in which the acyl group contains 18 carbons and 2 double bonds.


A phenylalanine derivative that is phenylalanine substituted by a carboxymethyl group at position 4.


A non-proteinogenic L-alpha-amino acid that is L-glutamine substituted by a methyl group at position 2.


Any aldono-1,5-lactone  having 2S,3R-threo stereochemistry. A representative structure is provided.


D-allothreonine

The D-enantiomer of  allothreonine. It occurs as a component of peptido-lipids in certain bacteria.


isopropyl salicylate

A benzoate ester that is the isopropyl ester of salicylic acid.


(R)-carisoprodol

The (R)-enantiomer of carisoprodol.


calysolin IV

A resin glycoside that is the hexasaccharide derivative of  jalapinolic acid. It has been isolated from Calystegia soldanella.


hyocholic acid 6-O-(beta-D-glucuronide)

A steroid glucosiduronic acid that is hyocholic acid having a single beta-D-glucuronic acid residue attached at position 6.


A glycoside that consists of an N-formyl-2,3-di-O-methyl-alpha-D-perosamine residue linked (1->3) to an N-formyl-alpha-D-perosamine residue which is linked glycosidically to a 5-(methoxycarbonyl)pentyl group.


A monosaccharide derivative consisting of D-galactose having a 1-carboxyethylidene group masking the 4-and 6-positions.


dimethylmaleic acid

A dicarboxylic acid that is maleic acid in which each of the hydrogens that is attached to a carbon atom is substituted by a methyl group.


chlorogenic acid

A cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the biosynthesis of lignin.


tylosin

A macrolide antibiotic that is tylonolide having mono- and diglycosyl moieties attached to two of its hydroxy groups. It is found naturally as a fermentation product of Streptomyces fradiae.


flunoxaprofen

A monocarboxylic acid that is propionic acid substituted at position 2 by a 2-(4-chlorophenyl)-1,3-benzoxazol-5-yl group (the S-enantiomer). Although it was shown to be effective in treatment of rheumatoid arthritis and osteoarthritis, the clinical use of flunoxaprofen was discontinued due to possible hepatotoxic side-effects.


(11Z,14Z)-icosadienoic acid

An icosadienoic acid with double bonds at positions 11 and 14 (both Z).


An N-substituted pyrraline that is pyrraline in which the hydrogen attached to the pyrrole nitrogen has been replaced by a butyl group.


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.


sulfanylbenzoic acid

A benzoic acid carrying at least one sulfanyl substituent.


4-nitrophenyl 1-naphthoate

A naphthoate ester obtained by formal condensation of the carboxy group of 1-naphthoic acid with the phenolic hydroxy group of 4-nitrophenol.


mediomycin B

A polyene antibiotic isolated from Streptomyces mediocidicus ATCC23936 and has been shown to exhibit a broad spectrum of antifungal activity.


A glycoside consisting of a linear hexasaccharide of N-formyl-alpha-D-perosamine residues linked (1->2) throughout, and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group used to facilitate conjugation to proteins.


HADACIDIN

A monocarboxylic acid that is N-hydroxyglycine in which the hydrogen attached to the nitrogen is replaced by a formyl group. It was originally isolated from cultures of Penicillium frequentans.


A member of the class of phenylacetaldehydes that is phenylacetaldehyde in which a hydrogen alpha to the aldehyde carbonyl group has been replaced by a methyl group. The major species at pH 7.3.


11-cyclopentylundecanoic acid

A carbocyclic fatty acid  that is undecanoic acid substituted by a cyclopentyl group at position 11.


(2E)-3-methylhex-2-enoic acid

A monounsaturated fatty acid that is (2E)-hexenoic acid in which the hydrogen at position 3 has been replaced by a methyl group. A malodourous component in the sweat of schizophrenics.


ketonitrile

A compound containing both ketone and nitrile functionalities.


N-acyl-L-alpha-amino acid

Any L-alpha-amino acid carrying an N-acyl substituent.


N-METHYLANTHRANILIC ACID

An aromatic amino acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is substituted by a methyl group.


N-methyl-beta-alanine

A beta-amino acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by a methylamino group.


name: 4-(4-acetylphenoxy)butanoic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester


name: 6-amino-4-(5-chloro-2-thiophenyl)-5-cyano-2-phenyl-4H-pyran-3-carboxylic acid ethyl ester


A beta-lactone proteasome inhibitor derived from lactacystin.


naproxcinod

A carboxylic ester obtained by formal condensation of the carboxy group of naproxen with the hydroxy group of 4-(nitrooxy)butanol. A cyclooxygenase-inhibiting nitric oxide donator that is metabolised to naproxen and a nitric oxide donating moiety, effective in treatment of osteoarthritis.


An oxodicarboxylic acid that is a tautomer of 4-maleylacetoacetic acid in which the carbonyl of the alpha,beta-unsaturated ketone moiety has tautomerised to the corresponding enol (the 2Z,4E isomer).


A pyrrole carrying a formyl substituent at the 2-position.


name: 5-[3-[[(4-methylphenyl)-oxomethyl]hydrazo]-2,5-dioxo-1-pyrrolidinyl]benzene-1,3-dicarboxylic acid dimethyl ester


A member of the class of benzophenones that is phenol substituted by a 4-fluorobenzoyl group at position 4.


beta-ketonitrile

A ketonitrile in which the cyano group and the carbonyl group are attached to the same carbon atom.


benzene-1,3,5-tricarboxylic acid

A tricarboxylic acid that consists of benzene substituted by carboxy groups at positions 1, 3 and 5.


A 2,4-dihydroxy-5-methyl-6-oxo-2,4-hexadienoic acid in which both double bonds adopt a trans-configuration.


nystatin

A polyene macrolide antibiotic; part of the nystatin complex produced by several Streptomyces species. It is an antifungal antibiotic used for the treatment of topical fungal infections caused by a broad spectrum of fungal pathogens comprising yeast-like and filamentous species.


A 5-hydroxylysine consisting of L-lysine having an (S)-hydroxy group at the 5-position.


cacibiocin B

A derivative of cacibiocin A where the hydrogen atoms in positions 6 and 8 of the coumarin moiety are substituted with chlorine atoms.


multifidol glucoside

A monosaccharide derivative that consists of multifidol attached to a  beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage. Isolated from Acacia mearnsii, it exhibits anti-inflammatory activity.


clopidogrel

A thienopyridine that is 4,5,6,7-tetrahydrothieno[3,2-c]pyridine in which the hydrogen attached to the nitrogen is replaced by an o-chlorobenzyl group, the methylene hydrogen of which is replaced by a  methoxycarbonyl group (the S enantiomer). A P2Y12 receptor antagonist, it is used to inhibit blood clots and prevent heart attacks.


metipranolol

3-(Propan-2-ylamino)propane-1,2-diol in which the hydrogen of the primary hydroxy group is substituted by a 4-acetoxy-2,3,5-trimethylphenoxy group. A non-cardioselective beta-blocker, it is used to lower intra-ocular pressure in the management of open-angle glaucoma.


METHYL 4-METHOXYBENZOATE

A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol.


A member of the class of xanthenes that is the acetic anhydride of dihydrofluorescein diacetate carrying additional chloro substituents at positions 2 and 7 as well as a chloromethyl substituent para to the anhydride function.


A tripeptide that is L-leucyl-L-leucyl-L-leucine in which the C-terminal carboxy group has been reduced to the corresponding aldehyde and the N-terminal amino group is protected as its benzyloxycarbonyl derivative.


name: 2-naphthalenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


estramustine

A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid.


bufogenin

A steroid lactone of Chan su (toad venom), a Chinese medicine obtained from the skin venom gland of toads. A specific Na/K-ATPase protein inhibitor, it is used as a cardiotonic and central nervous system (CNS) respiratory agent, an analgesic and anesthetic, and as a remedy for ulcers.


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.


A di-unsaturated long chain fatty aldehyde.


3-sulfinylpyruvic acid

A pyruvic acid compound having a 3-sulfinyl substituent.


monohexyl phthalate

A phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of hexanol.


tabernaemontanine

A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several species of Tabernaemontana.


L-idonic acid

The L-enantiomer of idonic acid.


gemifloxacin

A 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl group at the 7-position.


FAHFA

A fatty acid ester obtained by formal condensation of the carboxy group of any fatty acid with the hydroxy group of any hydroxy fatty acid.


5-amino-5-deoxy-3-dehydroshikimic acid

A gamma-amino acid that is shikimic acid in which the 3- and 5-hydroxy groups are replaced by oxo and amino groups respectively.


A glycoside that consists of alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-N-acetyl-D-glucosamine in which the hydrogen at the reducing end is substituted by a carboxypentyl group.


A diarylheptanoid that is (6E)-6-heptene substituted by an acetoxy group at position 3, a 3,4-dihydroxyphenyl group at position 1 and a 4-hydroxyphenyl group at position 7 (the 3S-stereoisomer). It has been isolated from the rhizomes of Curcuma kwangsiensis.


eucalyptal C

An organic heterotetracyclic compound whose skeleton is composed of 3,5-diformyl-isopentyl substituted phloroglucinol fused with a cadinane ring system. Isolated from Eucalyptus globulus, it exhibits antineoplastic activity.


eriodictyol chalcone

A 2',3,4,4',6'-pentahydroxychalcone with a trans configuration.


A carbohydrate sulfonate that is D-glucono-1,5-lactone in which the 6-hydroxy group is replaced by a sulfo group.


quinolobactin

A quinolinemonocarboxylic acid that is xanthurenic acid in which the hydroxy group at position 4 is replaced by a methoxy group. It is a siderophore isolated from Pseudomonas fluorescens ATCC 17400.


N-acyl-D-homoserine

The D-enantiomer of N-acylhomoserine.


thio-fatty acid

Any fatty acid having at least one SH substituent.


DIHYDROFERULIC ACID PROPYL ESTER

A carboxylic ester that is the propyl ester of dihydroferulic acid.


name: 4-methyl-3-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester


A perfluorinated compound that is 2-propoxypentanoic acid in which all 11 of the hydrogens attached to carbon atoms have been replaced by fluorine atoms. Used as an alternative to perfluorooctanoic acid in the fluoropolymer industry for years, its widespread environmental distribution, high bioaccumulation capability, and human exposure have caused great concern, particularly as its potential toxicity and health risk is still largely unknown.


indole-3-carbonyl nitrile

A member of the class of indoles that is 1H-indole which is substituted by a nitriloacetyl group at the 3 position.


A ketone that is decane in which the methylene hydrogens at position 3 are replaced by an oxo group.


A  carboxylic ester that is a modified acyl glycerol with linolenyl and linoleyl entities at C-1 and C-2, respectively; and an anilino moiety at C-3.


jaspamide P

A cyclodepsipeptide isolated from Jaspis splendens. A derivative of jaspamide, it has been shown to exhibit cytotoxic and microfilament disruption activity.


N(alpha)-acetyl-L-lysine methyl ester

An alpha-amino acid ester obtained by formal condensation of the carboxy group of N(alpha)-acetyl-L-lysine with the hydroxy group of methanol.


name: 4-fluorobenzoic acid [1-(4-methylphenyl)ethylideneamino] ester


name: 2-[(4-hydroxy-3-nitrophenyl)sulfonylamino]benzoic acid [2-(4-methoxyphenyl)-2-oxoethyl] ester


fatty acid 9:0

Any saturated fatty acid containing 9 carbons and 0 double bonds.


isoceanothic acid

A steroid acid isolated from the roots of Breynia fruticosa.


stearyl palmitate

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


butyrate ester

Any carboxylic ester where the carboxylic acid component is butyric acid.


N-tetracosanoylglycine

An N-acylglycine in which the acyl group is specified as tetracosanoyl.


An N-(long-chain-fatty-acyl)-L-glutamic acid in which the acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl.


A monoterpenoid indole alkaloid with formula C21H26N2O3, isolated from several plant species including Rhazya stricta, Tabernaemontana dichotoma and Aspidosperma pyricollum.


coniferyl p-coumarate

A cinnamate ester obtained by the formal condensation of the hydroxy of coniferol with the carboxy group of trans-4-coumaric acid.


emamectin

A mixture of emamectin B1a (major component) and emamectin B1b (minor component).


A ketoaldonic acid that is the L-threo-isomer of 3-deoxyhex-2-ulopyranosonic acid.


tertiary alpha-hydroxy ketone

An alpha-hydroxy ketone in which the carbonyl group and the hydroxy group are linked by a carbon bearing two organyl groups.


An omega-hydroxy fatty acid ascaroside that is bhos#20 in which the hydroxy group at position 4 of the ascarylopyranose moiety has been has been converted to the corresponding 1H-indole-3-carboxylate ester. It is a metabolite of the nematode Caenorhabditis elegans.


An ergostanoid that is (5alpha)-ergosta-8,24(28)-diene substituted by hydroxy groups a positions 3 and 11 and an oxo group at position 7 (the 3beta,11alpha stereoisomer). It has been isolated from Aspergillus ochraceus.


sedanonic acid

A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted by a pentanoyl group at position 6.


A two-electron reduction of this compound results in CHEBI:9260


mallotophilippen D

A member of the class of chalcones that is chalcone substituted by hydroxy groups at positions 3, 4, 2' and 4', a geranyl group at position 3' and a 6,6-dimethyl-3,6-dihydro-2H-pyran ring fused across positions 5' and 6'. Isolated from the fruits of Mallotus philippensis, it exhibits anti-inflammatory and immunoregulatory activities.


The (9Z)-isomer of (13S)-12,13-epoxyoctadeca-9,11-dienoic acid.


hexyl propanoate

A propanoate ester of hexan-1-ol.


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.


macrotetrolide

A macropolylide which contains four ester linkages in one macrocyclic ring.


EPOTHILONE A

An epithilone that is epothilone C in which the double bond in the macrocyclic lactone ring has been oxidised to the corresponding epoxide (the 13R,14S diastereoisomer).


22,23-dihydroavermectin B1b

A macrocyclic lactone that is avermectin B1b in which the double bond present in the spirocyclic ring system has been reduced to a single bond. It is the minor component of ivermectin.


(S)-gabaculine

The (S)-enantiomer of gabaculine.


PENIPANOID A

A member of the class of  benzoic acids that is benzoic acid substituted by a 1H-1,2,4-triazol-1-yl group at position 2 which in turn is substituted  by a 4-hydroxybenzyl group at position 5. It has been isolated from Penicillium paneum.


A 2-oxo steroid that is a derivative of pregnane obtained by the loss of a methylene group.


name: 3-[(4-methylphenyl)sulfamoyl]benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester


A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (2E)-11-hydroxyundec-2-enoic acid. It is a metabolite of the nematode Caenorhabditis elegans.


gamma-hydroxyarginine

A hydroxyarginine in which the hydroxy group is located at position 4.


6-deoxy-D-glucos-6-yl corynomycolate

A mycolate ester formed by esterification of corynomycolic acid with the 6-OH of D-glucose. (C32 is the average tail length of a reported naturally occurring range of 30-36 carbon atoms.)


3,5-di-O-caffeoyl-muco-quinic acid

muco-Quinic acid in which the hydroxy functions at C-3 and C-5 have been esterified with trans-caffeic acid.


docosanoid

Any oxygenated derivative of C22 polyunsaturated fatty acids, such as docosapentaenoic acid (DPA) and docosahexaenoic acid (DHA).


hydroxy fatty aldehyde

Any fatty aldehyde carrying one or more hydroxy substituents.


tetraacetyl-N-azidoacetyl-D-mannosamine

A monosaccharide derivative that is D-mannosamine in pyranose form with an azidocarbonyl group substituted on nitrogen and all hydroxy groups acetylated. It can be used to introduce  an azido group in living cells which can be metabolized to N-azido acetylneuramic acid and eventually incorporated into the glycoproteins and glycolipids on the cell surface, while exhibiting very low toxicity.


name: 7-(3-hydroxyphenyl)-5-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester


A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy and (2S)-2-amino-2-carboxyethyl groups at position 2 (the 2R,3aR,7aR-stereoisomer). It is an antagonist of the kainate-type ionotropic receptor, GluK1.


A  monocarboxylic acid amide obtained by the formal condensation of the amino group at position 4 of L-2,4-diaminobutyric acid with the carboxy group of oxalic acid.


A tetrahydro-4-hydroxyphenylpyruvic acid with (1S,4R)-stereochemistry.


nonanone

Any ketone that is nonane substituted by an oxo group at unspecified position.


N-hydroxydihomomethionine

An N-hydroxy-alpha-amino acid bearing a 5-thiahexyl substituent at the 2-position.


ISOSOJAGOL

A member of the class of coumestans that is coumestrol with a prenyl substituent at position 10.


meglutol

A dicarboxylic acid that is glutaric acid in which one of the two hydrogens at position 3 is substituted by a hydroxy group, while the other is substituted by a methyl group. It has been found to accumulate in urine of patients suffering from HMG-CoA lyase (3-hydroxy-3-methylglutaryl-CoA lyase, EC 4.1.3.4) deficiency. It occurs as a plant metabolite in Crotalaria dura.


(S)-vedaprofen

The R-enantiomer of the racemic drug vedaprofen. The racemate is used for control of pain and inflammation particularly associated with chronic musculoskeletal disorders and soft tissue trauma in dogs and horses and for treatment of pain due to horse colic.


The (2S)-2-[(R)-1-carboxyethylamino] derivative of pentanoic acid.


A beta-diketone that is icosane in which the methylene hydrogens at positions 5 and 7 have been replaced by oxo groups.


name: 4-[[diethylamino(oxo)methyl]amino]benzoic acid ethyl ester


natamycin

A macrolide antibiotic that has formula C33H47NO13, produced by several Streptomyces species including Streptomyces natalensis. It exhibits broad spectrum antifungal activity and used in eye drops, and as a food preservative, and also as a postharvest biofungicide for citrus and other fruit crops.


surfactin B

A cyclodepsipeptide that is N-[(3R)-3-hydroxy-12-methyltridecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group.


chaetoglobosin L

A  macrocycle isolated from Chaetomium globosum and has been shown to exhibit antifungal and cytotoxic activity.


LOCHNERICINE

An Aspidosperma alkaloid with molecular formula C21H24N2O3 found in the roots of Madagascar periwinkle (Catharanthus roseus, formerly known as Vinca rosea).


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.


An indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan.


citramalic acid

A 2-hydroxydicarboxylic acid that is malic acid (hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by a methyl group.


5-methyl-imidazole-4-carboxylic acid

An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 4 respectively.


alpha-hydroxy ketone

An alpha-oxyketone that has a hydroxy group as the alpha-oxy moiety.


crotylaldehyde

An enal consisting of propene having a formyl group at the 1-position.


chrysopine

A spiroketal and delta-lactone resulting from the formal condensation of the carboxy group of L-glutamine with the anomeric hydroxy group of D-fructose and substitution of the 1-hydroxy group of the fructose by the alpha-amino group of the glutamine. It is found in crown gall tumours induced in chrysanthemums by Agrobacterium tumefaciens.


XANTHOHUMOL

A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells.


name: 2-(methanesulfonamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester


L-galactonic acid

A galactonic acid compound having L-configuration.


METHYL NONYL KETONE

A dialkyl ketone with methyl and nonyl as the two alkyl groups.


N-acylserine 16:0

An N-acylserine in which the acyl group contains 16 carbons and is fully saturated.


arginine

An alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group.


gabapentin enacarbil

A carbamate ester that is the N-[1-(isobutyryloxy)ethoxy]carbonyl derivative of [1-(aminomethyl)cyclohexyl]acetic acid. The prodrug for gabapentin, used for treatment of neuropathic pain and restless legs syndrome.


A furopyridine that is furo[3,4-c]pyridin-3(1H)-one substituted by a hydroxy group at position 7 and a methoxy group at position 6. It is a metabolite of vitamin B6.


2-oxopenta-3,4-dienoic acid

A member of the class of allenes that is penta-3,4-dienoic acid carrying an additional oxo substituent at position 2


OCTANEDIOATE

An alpha,omega-dicarboxylic acid that is the 1,6-dicarboxy derivative of hexane.


thiomarinol G

An organosulfur heterocyclic compound produced by a marine bacterium Alteromonas rava and has been shown to exhibit antibacterial activity against Gram-positive and Gram-negative bacteria.


A 3-hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oic acid that has 1E,2Z geometry.


bisorcic

An N-acetyl-L-amino acid that is L-ornithine carrying two acetyl substituents at positions N-2 and N-5.


TILIROSIDE

A glycosyloxyflavone that is  kaempferol attached to a  6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl residue at position 3 via a glycosidic linkage.


4-methyl-L-glutamic acid

A 4-methylglutamic acid that has L-configuration.


2-isopropylmaleic acid

The 2-isopropyl derivative of maleic acid.


4-(4-styrylphenylcarbamoyl)butyric acid

A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxyl groups of glutaric acid with the amino group of 4-aminostilbene.


alpha-chloroketone

A chloroketone in which the chlorine and oxo substituents are on adjacent carbon atoms.


isoamyl formate

The formate ester of isoamylol.


alloisoleucine

A 2-amino-3-methylpentanoic acid having either (2R,3S)- or (2S,3R)-configuration.


ARENAMIDE A

A 19-membered cyclodepsipeptide consisting of a 3-hydroxy-4-methyldecanoyl moiety linked to the peptide sequence of 5 amino acids. Isolated from the fermentation broth of marine actinomycete Salinispora arenicola, it has been found to block tumour necrosis factor (TNF)-induced activation of NFkappaB-Luc human embryonic kidney cells.


ENTEROBACTIN

A macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella.


4-methylumbelliferyl acetate

An acetate ester consiting of umbelliferone carrying a 7-O-acetyl group.


O-desethyl candesartan

A benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group. It is the inactive metabolite of the anti-hypertensive drug, candesartan.


N,N-dihydroxypentahomomethionine

An N,N-dihydroxy-alpha-amino acid having a 8-thianonyl substituent at the 2-position.


tensyuic acid A

A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 3-(methoxycarbonyl)propyl group and in which the non-conjugated carboxy group has been converted to the corresponding methyl ester. The (+)-isomer, isolated from Aspergillus niger FKI-2342.


fentin acetate

An organotin compound that is the O-acetyl derivative of triphenyltin hydroxide. A fungicide used to control blights on potatoes, leaf spot diseases on sugar beet and anthracnose on beans.


methyl (+)-pentacycloanammoxate

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of (+)-pentacycloanammoxic acid with methanol.


(Z)-tetradec-2-enoic acid

An alpha,beta-unsaturated monocarboxylic acid that is tetradecanoic acid (myristic acid) which has undergone formal dehydrogenation to introduce a double bond with Z configuration between positions 2 and 3.


A non-proteinogenic alpha-amino acid that is tyrosine substituted by a nitro group at position 2.


An anthocyanin cation that is delphinidin substituted at position 3 by a 6-O-(cis-4 coumaryl)-beta-D-glucosyl residue


exochelin 772SM

An iron coordination entity being a complex of desferriexochelin 772SM with iron(3+).


An omega-hydroxy fatty acid ascaroside that is oscr#10 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.


phenylacetic acids

Any monocarboxylic acid that is phenylacetic acid or its substituted derivatives.


A 7-isopropyl-4-methyloxepan-2-one that has 4S,7R configuration.


N(alpha)-acetyl-L-arginine

An N-acetyl-L-amino acid that is L-arginine in which one of the hydrogens attached to the nitrogen is replaced by an acetyl group.


A secondary carboxamide resulting from the formal condensation of the carboxy group of 2-{[(2S,3S)-2-{[(2R)-2-amino-3-sulfanylpropyl]amino}-3-methylpentyl]oxy}-3-phenylpropanoic acid with the amino group of propan-2-yl (2S)-2-amino-4-(methylsulfonyl)butanoate. It is a farnesyltransferase inhibitor that exhibits anticancer properties.


MALONIC ACID

An alpha,omega-dicarboxylic acid in which the two carboxy groups are separated by a single methylene group.


reedsmycin D

A macrolide isolated from the reed rhizosphere soil-derived Streptomyces sp. CHQ-64.


A phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups.


locoracemoside B

An O-acyl carbohydrate consisting of 6-O-beta-D-glucopyranuronosyl-beta-D-glucopyranose attached to a 4-methoxybenzyl and a benzoyl group at positions 1 and 3 respectively. Isolated from Symplocos racemosa, it exhibits inhibitory activity against chymotrypsin.


minocycline

A tetracycline analogue having a dimethylamino group at position 7 and lacking the methyl and hydroxy groups at position 5.


decyl palmitate

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


alpha-phenylglycine

An amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine.


(2E,4E,8E,10E)-dodecatetraenedioic acid

A dodecatetraenedioic acid with double bonds at positions 2, 4, 8, and 10 (all E isomer).


ethinamate

A carbamate ester that is the 1-vinylcyclohexyl ester of carbamic acid. A short-acting sedative-hypnotic, it was formerly used to treat insomnia.


VISCOSALACTONE B

A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 3, 4 and 27 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia.


N-acetyl-L-amino acid

An L-amino acid having an N-acetyl substituent.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 14-hydroxytetradecanoic acid (14-hydroxymyristic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-20-hydroxyicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


erdasporine B

An organic heterohexacyclic compound that is 12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole in which the hydrogen at position 5 is substituted by a methoxycarbonyl group. It is synthesized by a gene cluster found in environmental DNA and exhibits cytotoxic activity against human HCT116 cancer cells and Staphylococcus aureus.


tetrahydro-4-hydroxyphenylpyruvic acid

A 2-oxo monocarboxylic acid that is pyruvic acid substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group


A member of the class of indoles that is 1H-indole substituted by a isopropyl group at position 5, a tert-butylsulfanediyl group at position 3, a 4-chlorobenzyl group at position 1 and a 2-carboxy-2-methylpropyl group at position 2. It acts as an inhibitor of  arachidonate 5-lipoxygenase.


name: 2-[3-(3-methoxyphenyl)-1-indazolyl]acetic acid methyl ester


d,l-threo-3-HYDROXYASPARTIC ACID

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


A member of the class of azobenzenes that is azobenzene in which one of the phenyl groups is substituted at position 4 by an ethoxycarbonyl group, while the other is substituted by a carboxymethyl group at position 3 and a hydroxy group at position 4. It is a potent and selective inhibitor of 15-hydroxyprostaglandin dehydrogenase (15-hydroxy-PGDH).


NOCODAZOLE

A member of the class of benzimidazoles that is benzimidalole which is substituted at position 2 by a (methoxycarbonyl)amino group and at position 5 by a 2-thienoyl group. It is an antineoplastic agent that exerts its effect by depolymerising microtubules.


name: 4-epi-seco-shornephine a carboxylic acid


An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.


methyl-branched fatty acid

Any branched-chain fatty acid containing methyl branches only.


fatty acid 4:0

Any saturated fatty acid containing 4 carbons.


glafenine

A carboxylic ester that is 2,3-dihydroxypropyl anthranilate in which the amino group is substituted by a 7-chloroquinolin-4-yl group. A non-steroidal anti-inflammatory drug, glafenine and its hydrochloride salt were used for the relief of all types of pain, but high incidence of anaphylactic reactions resulted in their withdrawal from the market.


ethyl hydroxy(phenyl)acetate

The ethyl ester of mandelic acid.


A methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position 3.


5-amino-2-oxopentanoic acid

The 2-oxo-5-amino derivative of valeric acid.


The (25S)-diastereomer of 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al.


heptenedioic acid

A dicarboxylic acid that is heptene carrying two carboxy groups.


amino acid ester

Any  carboxylic ester derivative of an amino acid.


A methyl 2-(4-isopropyl-4-methyl-5-oxo-4,5-dihydro-1H-imidazol-2-yl)-5-methylbenzoate in which the chiral centre has R configuration.


(13Z)-octadecenoic acid

An octadecenoic acid with a cis-double bond at position C-13.


7-methyl-3-oxooct-6-enoic acid

A monounsaturated oxo fatty acid comprising 3-oxooct-6-enoic acid having a methyl substituent at the 7-position.


An omega-hydroxy fatty acid ascaroside that is oscr#16 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.


(S)-3-methyl-2-oxovaleric acid

The (S)-enantiomer of 3-methyl-2-oxovaleric acid.


N-acetyl-L-isoleucine

An N-acetyl-L-amino acid that is L-isoleucine in which one of the nitrogens attached to the nitrogen is replaced by an acetyl group.


urocanic acid

An alpha,beta-unsaturated monocarboxylic acid that is prop-2-enoic acid substituted by a 1H-imidazol-4-yl group at position 3. It is a metabolite of hidtidine.


A member of the class of chalcones that is trans-chalcone hydroxylated at C-2' and -4'.


SINAPINATE

A sinapic acid in which the double bond has trans-configuration.


5-methoxyindole-3-acetic acid

A member of the class of indole-3-acetic acids in which the hydrogen at position 5 of indole-3-acetic acid has been replaced by a methoxy group.


A  heteroarenecarbaldehyde in which a formyl group is located at position 6 of 2,3-dihydro-1,4-benzodioxine.


name: N-[[(cyclohexylamino)-sulfanylidenemethyl]amino]carbamic acid tert-butyl ester


A C21-steroid that is  pregnane substituted by an oxo group at position 20 and a hydroxy group at position 3.


name: 2-[[1-oxo-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]amino]benzoic acid methyl ester


An omega-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group.


name: 5-(4-acetyloxy-3-methoxyphenyl)-2,7-dimethyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester


cinnamic acids

Any alpha,beta-unsaturated monocarboxylic acid based on the cinnamic acid skeleton and its substituted derivatives.


name: 3,4-dihydro-6-methoxy-8-hydroxy-3,4,5-trimethyl-isocoumarin-7-carboxylic acid methyl ester


An 1,3-thiazolemonocarboxylic acid that is ADP in which one of the diphosphate hydrogens has been replaced by a 2-(2-carboxy-4-methyl-1,3-thiazol-5-yl)ethyl group.


PHYSALIN F

A physalin with antimalarial and antitumour activities isolated from Physalis angulata.


cis-hex-3-enoic acid

A 3-hexenoic acid having the cis configuration.


4-methoxy-4-oxo-3-phenylbutanoic acid

A dicarboxylic acid monoester that is methyl succinate substituted at position 2 by a phenyl group.


A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 9-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.


non-proteinogenic L-alpha-amino acid

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


tolualdehyde

A benzaldehyde compound having a methyl group in an unspecified position.


name: 4-bromo-3-nitrobenzoic acid [2-[anilino(oxo)methyl]phenyl] ester


L-homocysteine

A sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain.


glutaral

A dialdehyde comprised of pentane with aldehyde functions at C-1 and C-5.


name: 4-iodobenzoic acid [1-(2-thiazolyl)ethylideneamino] ester


A heptadienal that is hepta-2,4-dienal substituted by an oxo group at position 6 and a methyl group at position 2.


(+)-jasplakinolide V

A  cyclodepsipeptide isolated from Jaspis splendens.


2,3-dimethylbenzoic acid

A dimethylbenzoic acid in which the two methyl groups are located at positions 2 and 3.


tridecanedioic acid

An alpha,omega-dicarboxylic acid that is undecane substituted by carboxylic acid groups at positions C-1 and C-11.


A dioxo monocarboxylic acid that is the 4,5-dihydroxy-2,6-dioxo derivative of hexanoic acid having (4S,5S)-configuration.


(2E,4E)-deca-2,4-dienoic acid

A polyunsaturated fatty acid that is decanoic acid (capric acid) which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5.


3-hydroxypyruvic acid

A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a hydroxy group. It is an intermediate involved in the glycine and serine metabolism.


(2S,3S)-cis-fertaric acid

A cinnamate ester obtained by formal condensation of the carboxy group of cis-ferulic acid with one of the hydroxy groups of D-tartaric acid.


tetracaine

A benzoate ester in which 4-N-butylbenzoic acid and 2-(dimethylamino)ethanol have combined to form the ester bond; a local ester anaesthetic (ester caine) used for surface and spinal anaesthesia.


name: cis-13,16-Docosadienoic acid methyl ester


A tricarboxylic acid that is hexa-2,4-dienedioic acid which is substituted at position 3 by a 2-carboxy-1-hydroxyethyl group (the 2Z,4E isomer; a mixture of isomers at the carbon bearing the alcoholic hydroxy group). It has been produced from trans-caffeic acid using Aspergillus niger, but the conversion rate was increased 3.5 times by using a coculture of Streptomyces coelicolor and Aspergillus niger.


22-oxodocosanoic acid

A long-chain oxo-fatty acid that is the 22-oxo derivative of docosanoic acid.


citraconic acid

A dicarboxylic acid consisting of maleic acid having a methyl substituent at the 2-position.


butyl benzoate

A benzoate ester obtained by condensation of benzoic acid and butanol. It is used as a perfume ingredient and as a solvent for cellulose ether, a dye carrier for textiles.


name: 4,5-dichloro-3-isothiazolecarboxylic acid [1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester


A hydroperoxydocosapentaenoic acid that is (4Z,7Z,10Z,13Z,15E)-docosapentaenoic acid carrying a hydroperoxy substituent at position 17S.


A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.


pentanone

Any ketone that is pentane substituted by an oxo group at unspecified position.


A  kaempferol O-glucoside that is the 2''-acetyl derivative of astragalin (kaempferol 3-O-glucoside). Isolated from the aerial parts of Delphinium staphisagria, it exhibits trypanocidal activity.


N,N-dihydroxy-L-valine

An N,N-dihydroxy amino acid that is derived from L-valine.


A lysine derivative in which the N(epsilon) of the amino acid carries an acetonyl group.


A 3-aminoalanine that has  R configuration.


3-amino-3-phenylpropanoic acid

A beta-amino acid that is beta-alanine substituted at position 3 by a phenyl group.


methyl-branched fatty acid 17:0

Any saturated methyl-branched fatty acid containing 17 carbons and 0 double bonds.


An indane derivative in which the indane skeleton is substituted by an ethyl group at C-2, geminal methyl groups at C-1, by a single methyl group at C-6, by an isopropyl group at C-3 and by a 3-carboxypropanoyl group at C-6.


name: 2-[5-[(5-amino-1-tetrazolyl)iminomethyl]-2-furanyl]-5-bromobenzoic acid methyl ester


name: 4-[[7-bicyclo[4.1.0]heptanyl(oxo)methyl]amino]benzoic acid ethyl ester


name: 2-[[oxo(thiophen-2-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester


name: 3-[(3,4-difluorophenyl)sulfonylamino]benzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester


A hexadecenal that carries a double bond at position 2.


A epoxydocosatetraenoic acid obtained by formal epoxidation across the 19,20-double bond of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid.


decyl oleate

A wax ester obtained by the formal condensation of the carboxy group of oleic acid with the hydroxy group of decanol.


A L-valine derivative that is 3-methyl-L-valine in which carboxy OH group is replaced by a methylnitrilo group and the one of the amino hydrogens is replaced by a (2R)-2-{(1S)-1-[formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl group. It is a potent MMP9 and ADAM10 metalloprotease inhibitor with IC50 of 2.5 and 5.3 nM, respectively.


name: N,N-dimethylcarbamic acid [4-[2-(benzenesulfonyl)-1-oxoethyl]-2,6-dimethylphenyl] ester


N-succinyl-L-glutamic 5-semialdehyde

A dicarboxylic acid monoamide obtained by the formal condensation of amino group of L-glutamic 5-semialdehyde with one of the carboxy groups of succinic acid.


pregabalin

A gamma-amino acid that is gamma-aminobutyric acid (GABA) carrying an isobutyl substitutent at the beta-position (the S-enantiomer). Binds with high affinity to the alpha2-delta site (an auxiliary subunit of voltage-gated calcium channels) in central nervous system tissues.


A dioxo monocarboxylic acid that consists of hydrindane bearing two oxo substituents at positions 1 and 5 and a 2-carboxyethyl substituent at position 4 (3aS,4S,7aS-diastereomer).


An omega-hydroxy fatty acid ascaroside that is oscr#32 in which the pro-R hydrogen beta to the carboxy group is replaced by a hydroxy group. It is a metabolite of the nematode Caenorhabditis elegans.


An octadecanoid that is (6E,8Z)-octadecadienoic acid carrying an additional oxo substituent at position 5.


name: 4-(dimethylamino)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester


A secondary alpha-hydroxy ketone that is benzene which is substituted by a 1-hydroxy-2-oxopropyl group at position 1.


cis-2-oxohept-3-enedioic acid

The cis-isomer of 2-oxohept-3-enedioic acid.


GLYCYROL

A member of the class of  coumestans that is coumestan substituted by hydroxy groups at positions  1 and 9,  a methoxy group at position 3 and a prenyl group at position 2 respectively.


ortho-vanillin

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


(2S,3R)-cis-caftaric acid

A cinnamate ester obtained by formal condensation of the carboxy group of cis-caffeic acid with one of the hydroxy groups of meso-tartaric acid.


CANDESARTAN

A benzimidazolecarboxylic acid that is 1H-benzimidazole-7-carboxylic acid substituted by an ethoxy group at position 2 and a ({2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl}methyl) group at position 1. It is a angiotensin receptor antagonist used for the treatment of hypertension.


3-phenyllactic acid

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


isoamyl acetate

The acetate ester of isoamylol.


name: 4-cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester


A monounsaturated fatty acid aldehyde that is undec-10-enal substituted at position 2 by a methyl group.


A member of the class of cinnamaldehydes that is prop-2-enal in which a hydrogen at position 3 has been replaced by a phenyl group. The configuration of the double bond is not specified; the name "cinnamaldehyde" is widely used to refer to the E (trans) isomer.


A fluoroamino acid that is lysine with a difluoromethyl group at position 2.


(+)-vernolic acid

An optically active form of vernolic acid having (12S,13R)-configuration.


2-amino-5-phosphonopentanoic acid

The 5-phosphono derivative of 2-aminopentanoic acid; acts as an N-methyl-D-aspartate receptor antagonist.


A member of the class of  benzamides obtained by the formal condensation of 2-(aminomethyl)-3,4,6-trichlorophenol and  benzoic acid. The carboxamide is further esterified at the phenolic hydroxy group by 4-nitrobenzoic acid.


A epoxydocosatetraenoic acid obtained by formal epoxidation across the 10,11-double bond of (7Z,10Z,13Z,16Z,19Z)-docosapentaenoic acid.


methyl cyclohexanecarboxylate

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


glutamic acid-2,3,3,4,4-d5

A deuterated compound that is glutamic acid in which the hydrogens at positions 2, 3, 3, 4 and 4 are replaced by deuterium.


hematoporphyrin

A dicarboxylic acid that is protoporphyrin in which the vinyl groups at positions 7 and 12 are replaced by 1-hydroxyethyl groups.


ZHANKUIC ACID B

A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic, anticholinergic and antiserotonergic activities.


A cholesterol ester in which the acyl group contains 22 carbons in total and 1 double bond.


methyl nonadecanoate

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


GLUFOSINATE

A non-proteinogenic alpha-amino acid that is 2-aminobutanoic acid which is substituted at position 4 by a hydroxy(methyl)phosphoryl group.


16-sinapoyloxypalmitic acid

A carboxylic ester resulting from the formal condensation of the carboxy group of trans-sinapic acid with the hydroxy group of 16-hydroxyhexadecanoic acid.


N-(trifluoroacetyl)glycine

An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of trifluoroacetic acid.


DL-PENICILLAMINE

An alpha-amino acid having the structure of valine substituted at the beta position with a sulfanyl group.


A member of the class of bipyridines that is 2,2'-bipyridine in which the hydrogens situated para to the ring nitrogens have been replaced by methyl and formyl groups.


A 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranosyluronic acid)-6-O-sulfo-D-galactopyranose in which the galactose residue has beta-configuration at the anomeric centre.


fatty acid 12:0

Any saturated fatty acid containing 12 carbons and 0 double bonds.


A tetrasaccharide consisting of beta-D-Delta(4)-glucopyranuronic acid, beta-D-glucopyranosyl, alpha-L-rhamnopyranosyl and D-glucopyranosyl residues, joined in sequence by (1->4), (1->4) and (1->3)-glycosidic bonds, respectively.


BENZOIC ACID OCTYL ESTER

A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of octan-1-ol. It is found in the leaves of lemon balm.


LL-2,6-diaminopimelic acid

A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall.


name: 3-Aminomethylbenzoic acid methyl ester hydrochloride


syringyl alcohol diacetate

A phenyl acetate that is the diacetate ester derivative of syringyl alcohol.


phlorizin chalcone

A monosaccharide derivative that is trans-chalcone substituted by hydroxy groups at positions 4, 4' and 6 and a  beta-D-glucopyranosyloxy group at position 2' respectively.


A glycosyl alditol derivative consisting of an alpha-L-idopyranuronic acid residue and a 2,5-anhydro-4-O-sulfo-D-glucitol residue joined in sequence by a (1->3) glycosidic bond.


COLESTOLONE

A 3beta-hydroxysteroid consisting of 3beta-hydroxy-5alpha-cholest-8(14)-ene having an additional oxo group at the 15-position.


aconitic acid

A tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3.


polyoxyl 40 stearate

An octadecanoate ester composed of repeating 8-40 ethyleneoxy units. It is an ingredient used in cosmetics and beauty products primarily as a surfactant and emulsifier.


ZEAENOL

A macrolide that is a 14-memebered macrocycle fused to a 3-methoxyphenol ring. Isolated from Fungi and Cochliobolus lunatus, it exhibits antibacterial and inhibitory activity against NF-kappaB.


cephalanone F

A member of the class of benzophenones that is benzophenone in which one phenyl group is substituted at positions 2 and 6 by hydroxy groups and at position 4 by a methyl group while the other is substituted at positions 2 and 6 by hydroxy and carboxy groups, respectively. It is a secondary metabolite isolated from the fungal species Graphiopsis chlorocephala, Paecilomyces variotii and Pseudopalawania siamensis.


(R)-3,4-dihydroxy-2-oxobutanoic acid

A ketoaldonic acid that is butyric acid carrying an oxo substituent at position 2 as well as two hydroxy substituents at positions 3 and 4 (the R-enantiomer).


cyclopropenyl fatty acid

Any fatty acid containing a three-membered carbocyclic unit which includes a double bond.


methyl 2-(4-hydroxyphenyl)acetate

A  methyl ester resulting from the formal condensation of the carboxy group of 4-hydroxyphenylacetic acid with methanol. It has been isolated from Penicillium chrysogenum.


tuberculostearic acid

A methyl-branched fatty acid, the structure of which is that of stearic acid carrying a methyl group at C-10.