methyl indole-3-carboxylate

The methyl ester of indole-3-carboxylic acid.


PYOLUTEORIN

A member of the class of resorcinols that is resorcinol in which the hydrogen at position 2 is replaced by a 4,5-dichloro-1H-pyrrole-2-carbonyl group. It is a natural product found in Pseudomonas fluorescens which exhibits antibacterial properties and is a strong inducer of caspase-3-dependent apoptosis.


cyfluthrin

A carboxylic ester obtained by formal condensation between 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxylic acid and (4-fluoro-3-phenoxyphenyl)(hydroxy)acetonitrile.


withalongolide C

A withanolide that is withaferin A substituted by a hydroxy group at position 11. Isolated from Physalis longifolia, it exhibits antineoplastic activity.


3-(imidazol-5-yl)pyruvic acid

An oxo carboxylic acid that is pyruvic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.


A hydroperoxy fatty ester that is the methyl ester of 12-hydroperoxy-20-hydroxy-(5Z,8Z,10E,14Z)-icosatetraenoic acid.


name: 2-[[(3-methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester


A methyl ketone that is cyclohexane substituted by an acetyl group at position 1.


An O-acyl carbohydrate that is alpha-D-glucose bearing a trans-4-coumaroyl substituent at position 6.


homocarnosine

A histidine derivative that is histidine in which one of the hydrogens attached to the alpha-amino group has been replaced by a 4-aminobutanoyl group.


branched-chain fatty acid

Any fatty acid in which the parent hydrocarbon chain has one or more alkyl substituents; a common component in animal and bacterial lipids. The fatty acyl chain is usually saturated and the substituent a methyl group; however, unsaturated BCFAs are found in marine animals, and branches other than methyl are found in microbial lipids.


(3E,5E)-tridecadienoic acid

A tridecadienoic acid with double bonds at positions 3 and 5 (both E isomer).


A cholesterol ester in which the acyl group contains 18 carbons in total and 1 double bond.


oxo monocarboxylic acid

Any monocarboxylic acid having at least one additional oxo functional group.


name: 1-[2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester


name: 4-[[(cyclohexylamino)-oxomethyl]amino]benzoic acid methyl ester


name: 8-[2-[4-(5,5-dimethyl-1,3-dioxan-2-yl)butylidene]hydrazinyl]-8-oxooctanoic acid methyl ester


name: 23-(6-methyl)heptanoic acid demalonylazalomycin F3a ester


4-p-coumaroylquinic acid

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


macrolide

A macrocyclic lactone with a ring of twelve or more members derived from a polyketide.


A cinnamate ester obtained by the formal condensation of trans-4-coumaric acid with 2-(3,4-dihydroxyphenyl)ethyl beta-D-glucopyranoside. It is a phenolic glycoside derivative obtained from the aerial parts of Globularia alypum and exhibits antioxidant activity.


tert-butylglycine

A glycine derivative that is glycine with a tertiary butyl group at position 2.


An aromatic ether in which the oxygen atom is connected to a guaiacylglyceryl and a vanillyl group. It has been isolated from the stems of Sinocalamus affinis.


heptafluthrin

A carboxylic ester resulting from the formal condensation of the carboxy group of 2,2-dimethyl-3-[(1Z)-3,3,3-trifluoroprop-1-en-1-yl]cyclopropanecarboxylic acid with the hydroxy group of 2,3,5,6-tetrafluoro-4-(methoxymethyl)benzyl alcohol. It is an unspecified mixture of  isomers at the cyclopropane ring; the trifluoropropenyl side-chain has Z configuration. It is an insecticide with rapid knock-down activity.


A glycoside that consists of an N-formyl-2-O-methyl-alpha-D-perosamine residue and two N-formyl-alpha-D-perosamine residues linked sequentially (1->2) and (1->3) and linked at the reducing end glycosidically to a 5-(methoxycarbonyl)pentyl group.


avermectin analogue

A macrolide whose structure is related to that of an avermectin.


An L-lysine derivative that is L-lysine in which one of the hydrogens attached to N(6) is substituted by a methyl group.


name: 2-[[butoxy(oxo)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester


name: 2-methyl-5-oxo-7-thiophen-2-yl-4-(3-thiophenyl)-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylic acid 2-methoxyethyl ester


lactate ester

Any carboxylic ester resulting from the formal condensation of the carboxy group of lactic acid with the hydroxy group of an alcohol or phenol.


name: 2,4-difluorobenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester


PHENACETURIC ACID

A N-acylglycine that is glycine substituted on nitrogen with a phenylacetyl group.


A carbobicyclic compound that is 4-hydroxybicyclo[3.2.1]oct-3-en-2-one in which position 3 is substituted by a 2-chloro-4-(methylsulfonyl)benzoyl group.


A non-proteinogenic L-alpha-amino acid that is L-norleucine which is substituted at position 5 by an oxo group and at position 6 by a diazo group. It is as inhibitor of various glutamine-utilising enzymes.


A tetracarboxylic acid that is chiral and consists of EDTA having a 4-[N'-(2-hydroxyethyl)thioureido]benzyl substituent at the 2-position.


ANANOLIGNAN G

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma.


histidine methyl ester

An alpha-amino acid ester that is the methyl ester of histidine.


aromatic ketone

A ketone in which the carbonyl group is attached to an aromatic ring.


4-hydroxyphenylpyruvic acid oxime

A ketoxime obtained by condensation of the keto group of 4-hydroxyphenylpyruvic acid with hydroxylamine.


A 2-fluorophenylalanine that has L-configuration.


phosphinomethylisomalic acid

A 2-hydroxydicarboxylic acid that is 2-hydroxy-3-methylbutanedioic acid in which one of the methyl hydrogens is replaced by a phosphino group


N-acylglycine

An N-acyl-amino acid in which amino acid specified is glycine.


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

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


VALEROPHENONE

An aromatic ketone that consists of benzene substituted by a pentanoyl group.


1-methyl-imidazole-2-carboxylic acid

An imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 1 and 2 respectively.


Any mixture of complex, colloidal, macromolecular plant galacturonans containing a large proportion of D-galactopyranosyluronic acid residues in alpha-(1->4) linkage, the carboxy groups of which may be esterified to varying degrees by methyl groups or be partially or completely converted into salts. The structure shown is that of the parent polygalacturonan.


An acetate ester obtained by the formal condensation of hydroxy group of  sinapoyl aldehyde with acetic acid.


A L-leucine derivative that is L-leucine substituted by an oxo group at position 5.


An L-alpha-amino acid that is L-dopa carrying an additional hydroxy substituent at position 6.


A pentanone carrying an oxo substituent at position 2.


2-formylbenzoic acid

An aldehydic acid which consists of benzoic acid substituted by a formyl group at position 2. Metabolite of ampicillin phthalidyl ester.


pyruvate family amino acid

An L-alpha-amino acid which is biosynthesised from pyruvate (i.e. alanine, valine, and leucine). A closed class.


A glycosyloxyflavone that is kaempferol attached to a 5-O-acetyl-alpha-D-apiofuranosyl residue at position 3 and a alpha-L-rhamnopyranosyl residue at position 7 via glycosidic linkages. Isolated from the aerial parts of Vicia faba and Lotus edulis, it exhibits inhibitory activity against topoisomerse I and II.


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


alvaradoin J

A C-glycosyl compound that is 1,8,10-trihydroxy-3-methylanthracen-9-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10S stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.


2-phosphinomethylmalic acid

A 2-hydroxydicarboxylic acid that is malic acid carrying an additional phosphinomethyl substituent at position 2.


A  meroterpenoid that is hexadeca-2,6,14-triene-5,12-dione substituted by a hydroxy group at position 13, a 2-hydroxy-5-methoxy-3-methylphenyl group at position 1 and methyl groups at positions 3, 7, 11 and 15. Isolated from Halidrys siliquosa, it exhibits antibacterial and antifouling activities.


A nitrotyrosine comprising tyrosine having a nitro group at the 3-position on the phenyl ring.


arabidopside

An oxylipin that is a 1,2-diacyl-3-glycosyl-sn-glycerol in which one or both of the acyl groups are derived from 12-oxophytodienoic acid and/or dinor-oxophytodienoic acid and in which the glycosyl group is alpha-D-galactosyl or beta-D-galactosyl-(1->6)-alpha-D-galactosyl. Originally isolated from the aerial parts of Arabidopsis thaliana.


monounsaturated fatty aldehyde

Any fatty aldehyde with one double or triple bond located at any position in the aliphatic chain.


FORMIC ACID METHYL ESTER

A formate ester resulting from the formal condensation of formic acid with methanol. A low-boiling (31.5 degreeC) colourless, flammable liquid, it has been used as a fumigant and larvicide for tobacco and food crops.


minabeolide 8

A withanolide that is (22R,25S)-22,26-epoxycholest-4-en-26-one substituted by an oxo group at position 3 and an alpha-acetoxy group at position 11. Isolated from Paraminabea acronocephala, it exhibits anti-inflammatory activity.


aminobenzoic acid

A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.


A hydroperoxy fatty acid that is (5Z,9E,11Z,14Z,17Z)-icosapentaenoic acid in which the hydroperoxy group is located at position 8.


(2S,3S)-3-hydroxy-2-methylbutanoic acid

A 2-methyl-3-hydroxybutyric acid that has (2S,3S)-configuration.


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


name: 3-[[2-(2-chloro-4-fluorophenoxy)-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester


thiomarinol C

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.


name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [1-(4-ethylanilino)-1-oxopropan-2-yl] ester


2-aminoisobutyric acid

A rare, non-protein amino acid and end-product of pyrimidine metabolism, excreted in urine and found in some antibiotics of fungal origin. With the exception of a few bacteria, it is non-metabolisable, and therefore used in bioassays.


name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)butanoic acid [2-(2-acetylanilino)-2-oxoethyl] ester


omega-(methylthio)-2-oxocarboxylic acid

Any 2-oxo monocarboxylic acid in which one of the terminal methyl hydrogens has been replaced by a methylthio group.


trimethylbenzoic acid

A benzoic acid in which any three of the ring hydrogens are substituted by methyl groups.


A 2-undecenal in which the C=C bond has E configuration.


ANISALDEHYDE

A member of the class of benzaldehydes consisting of benzaldehyde itself carrying a methoxy substituent at position 4.


L-glutamyl ester

Any alpha-amino acid ester that is the ester of L-glutamic acid.


name: 4-[[2-(1-benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester


homoveratric acid

A phenylacetic acid substituted at positions 3 and 4 by methoxy groups.


An alpha-diketone that is 1-phenyl-1,2-propanedione substituted by two methoxy groups at position 3.


(S)-4-hydroxy-2-oxopentanoic acid

An optically active form of 4-hydroxy-2-oxopentanoic acid having 4S-configuration.


glycerol monomycolate (C85)

A mycolate ester formed by esterification of (2R)-2-{(1R)-1-hydroxy-15-[2-(20-methoxy-21-methylnonatriacontyl)cyclopropyl]pentadecyl}hexacosanoic acid with the 1-OH of glycerol.


acetylenic fatty acid

Any  unsaturated fatty acid containing at least one triple bond in the carbon chain framework.


name: Glycine, N-(carboxymethyl)-N-(2-hydroxyethyl)-, disodium salt


arsonoacetic acid

An organoarsonic acid that is methylarsonic acid in which one of the hydrogens of the methyl group is replaced by a carboxy group.


methyl glutamate

An alpha-amino acid ester obtained by formal condensation of the alpha-carboxy group of glutamic acid with methanol.


A cyclohexadienecarboxylic acid that is cyclohexa-2,4-diene-1-carboxylic acid substituted by hydroxy group at positions 1 and 6 and a methyl group at position 2.


name: 6-bromo-5-hydroxy-1-methyl-2-[(pyridin-4-ylamino)methyl]-3-indolecarboxylic acid ethyl ester


name: 3,5,7-trimethyl-1-adamantanecarboxylic acid 2-(4-methyl-3-phenacyl-5-thiazol-3-iumyl)ethyl ester


spiramycin II

A macrolide antibiotic produced by various Streptomyces species.


name: 2-bromobenzoic acid [[amino-(4-nitrophenyl)methylidene]amino] ester


name: 2-[[2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-1-oxoethyl]amino]benzoic acid methyl ester


An omega-hydroxy fatty acid ascaroside that is oscr#20 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.


benzyl 2-methyl-3-hydroxybutanoate

A fatty acid ester obtained by the formal condensation of hydroxy group of benzyl alcohol with the carboxy group of 3-hydroxy-2-methylbutanoic acid.


A monounsaturated fatty aldehyde that is heptadecanal carrying a double bond at position 16.


A 2-oxo aldehyde that is 4-hydroxybutanal carrying an oxo group at position 2. It is a degradation product of vitamin C.


name: l-Norvaline, N-(2-methoxyethoxycarbonyl)-, undecyl ester


SITOINDOSIDE IX

A  withanolide saponin that consists of withaferin A attached to a beta-D-glucopyranosyl residue at position 27 via a glycosidic linkage. Isolated from Physalis longifolia, it exhibits antineoplastic activity.


name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-[di(propan-2-yl)amino]-2-oxoethyl] ester


monacolin J acid

A polyketide obtained by hydrolysis of the pyranone ring of monacolin J.


LOGANIC ACID

A cyclopentapyran that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid substituted at positions 1, 6 and 7 by beta-D-glucosyloxy, hydroxy and methyl groups respectively


crassifogenin C

A norlignan that is 3-deoxypentodialdo-5,4-oxirose substituted at positions 1 and 4 by 3,4-dihydroxyphenyl groups. It is isolated from the rhizomes of Curculigo crassifolia and exhibits strong radical scavenging activity.


An N(6)-acyl-L-lysine that has lactoyl as the N(6)-acyl group.


name: 2-[5-[(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)methylidene]-2,4-dioxo-3-thiazolidinyl]propanoic acid methyl ester


meso-2,6-diaminopimelic acid

The meso-isomer of 2,6-diaminopimelic acid. It is a key constituent of bacterial peptidoglycan and is often found in human urine due to the breakdown of the gut microbes.


tixocortol

The pivalate thioester of tixocortol.


A glycosyloxyflavone that consists of isorhamnetin substituted by a alpha-L-(6''''-p-coumaroyl-beta-D-glucopyranosyl)-(1->2)-rhamnopyranosyl moiety at position 3 via a glycosidic linkage. Isolated from Ginkgo biloba, it exhibits antioxidant activity.


name: 4-[[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-oxoethyl]amino]benzoic acid ethyl ester


emericellamide C

An emericellamide derived from N-[(2R,3R)-3-hydroxy-2-methyldecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.


thioacetate ester

A compound of general formula CH3C(=O)SR where R is an organyl group.


methoxy mycolic acid

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


2-hydroxyethyl hexadecanoate

A hexadecanoate ester obtained by the formal condensation of carboxy group of hexadecaoic acid with one of the hydroxy groups of ethylene glycol


tetradecyl tetradecanoate

A tetradecanoate ester (myristate ester) resulting from the formal condensation of the carboxy group of tetradecanoic acid (myristic acid) with the hydroxy group of tetradecan-1-ol (myristyl alcohol). Used as an emollient.


chloromuconic acid

A chlorocarboxylic acid that is muconic acid substituted by at least one chloro group.


(1S,2R)-cicloxilic acid

A 2-hydroxy-2-phenylcyclohexanecarboxylic acid that has (1S,2R)-stereoconfiguration.


penta-2,4-dienoic acid

A pentadienoic acid with the double bonds at positions 2 and 4.


A methylbutanal that is butanal substituted by a methyl group at position 3. It occurs as a volatile constituent in olives.


4-GUANIDINO-BENZOIC ACID

Benzoic acid substituted at the para position by a guanidino group.


L-(R)-valifenalate

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


onosmin B

A benzoate ester obtained by the fromal condensation of the carboxy group of onosmin A with methanol. Isolated from Onosma hispida, it exhibits inhibitory activity against lipoxygenase.


An alpha-chloroketone that is acetanilide in the para- position is substituted by a chloroacetyl group.


2-methoxyethyl ester

A carboxylic ester resulting from the formal condensation between a carboxylic acid and the hydroxy group of 2-methoxyethanol. In contrast to many other water-solubilising esters, the 2-methoxyethyl esters of many amino acids are crystalline, allowing them to be easily purified.


BUTEIN

A chalcone that is (E)-chalcone bearing four additional hydroxy substituents at positions 2', 3, 4 and 4'.


nitrosocarbaryl

A nitroso compound that is carbaryl in which the amino hydrogen is substituted by a nitroso group.


(E)-3-(indol-3-yl)acrylic acid

An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group.


name: N-(4-methoxyphenyl)carbamic acid propan-2-yl ester


TUBOCAPSANOLIDE A

A  withanolide that is 5beta,6beta:16alpha,17alpha-diepoxywitha-2,24-dienolide substituted by a hydroxy group at position 4 and an oxo group at position 1. Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-21-hydroxyhenicos-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


barogenin

A cholestanoid that is cholest-5-ene substituted by hydroxy groups at positions 3 and 26 and oxo groups at positions 16 and 22 respectively.


2-hydroxymethylglutaric acid

The 2-hydroxymethyl derivative of glutaric acid.


hexadecyl elaidate

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


A hydroxy-L-valine which carries a hydroxy group at position 3.


DL-threo-β-hydroxyaspartate

The (3S)-diastereomer of 3-hydroxy-L-aspartic acid.


tazobactam

A member of the class of penicillanic acids that is sulbactam in which one of the exocyclic methyl hydrogens is replaced by a 1,2,3-triazol-1-yl group; used (in the form of its sodium salt) in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections.


RESPIRANTIN

A cyclodepsipeptide isolated from Streptomyces and Kitasatospora and has been shown to exhibit antimicrobial and antineoplastic activity.


3-methylphenylacetic acid

A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-methylphenyl group.


4-oxobutyl alpha-L-rhamnoside

An alpha-L-rhamnoside consisting of butanal having an alpha-L-rhamnosyloxy group attached at the 4-position.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 16-hydroxyhexadecanoic acid (also known as juniperic acid) with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


(3Z)-hex-3-en-1-yl benzoate

The benzoate ester of (3Z)-hex-3-en-1-ol.


iminodiacetic acid

An amino dicarboxylic acid that is glycine in which one of the hydrogens attached to the nitrogen is substituted by a carboxymethyl group.


(9R,10S)-9,10-epoxyoctadecanoic acid

A 9,10-epoxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively.


An N-substituted diamine that consists of 1,6-hexanediamine bearing two 2-carboxy-4,6-dinitrophenyl (DNCP) substituents at the N(1)- and N(6)-positions.


cis-aconitic acid

The cis-isomer of aconitic acid.


A hydroxytryptophan that is tryptophan substituted by a hydroxy group at position 2 on the indole ring.


name: N-(3-chlorophenyl)carbamic acid 2-pyridinylmethyl ester


name: 2-(4-formylphenoxy)acetic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester


name: benzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester


A pentanone that is  pentan-3-one substituted by methyl groups at positions 2 and 4 respectively.


name: 6-amino-5-cyano-2-(4-methoxyphenyl)-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester


tigecycline

Tetracycline in which the hydroxy group at position 5 and the methyl group at position 6 are replaced by hydrogen, and with a dimethylamino substituent and an (N-tert-butylglycyl)amino substituent at positions 7 and 9, respectively. A glycylcycline antibiotic, it has activity against a broad range of Gram-positive and Gram-negative bacteria, including tetracycline-resistant organisms. It is used for the intravenous treatment of complicated skin and skin structure infections caused by susceptible organisms.


liphagal

A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase.


N-acetyl-L-threonine

A N-acetyl-L-amino acid that is the N-acetyl derivative of L-threonine.


N-acylglycine 22:6

An N-acylglycine in which the acyl group contains 22 carbons and 6 double bonds.


tetrahomomethionine

A sulfur-containing amino acid consisting of 2-aminooctanoic acid having a methylthio substituent at the 8-position.


phenyl benzoate

A benzoate ester obtained by the formal condensation of phenol with benzoic acid.


name: 4-(dimethylamino)benzoic acid (phenylmethyl) ester


transfluthrin

A carboxylic ester obtained by formal condensation of 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and 2,3,5,6-tetrafluorobenzyl alcohol.


stigmasterol 3-O-acetate

A steroid ester obtained by the formal condensation of the hydroxy group of  phytosterol with acetic acid. It has been obtained from the mycelia of Cordyceps sinensis.


A dihydroxy monocarboxylic acid that is the 7(S),8(S)-dihydroxy derivative of linoleic acid.


TEREPHTHALAMIC ACID

A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of terephthalic acid with ammonia.


desmethylnaproxen sulfate

A member of the class of naphthalenes that is naproxen in which the methoxy group has been replaced by a sulfooxy group.


butyl 2-(methylsulfanyl)acetate

A carboxylic ester obtained by the formal condensation of the carboxy group of (methylthio)acetic acid with butan-1-ol.


An omega-hydroxy fatty acid ascaroside that is bhos#10 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.


name: 3-[[(2,3-dimethylanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester


flexirubin

The parent member of the class of flexirubins obtained by formal condensation of the carboxy group of 17-(4-hydroxy-3-methylphenyl)heptadeca-2,4,6,8,10,12,14,16-octaenoic acid with one of the phenolic hydroxy groups of 2-dodecyl-5-methyl resorcinol.


ornaline

A glutamic acid derivative in which one of the amino hydrogens of glutamic acid has been replaced by a 4-amino-1-carboxybutyl group.


cefalotin

A semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administered parenterally during surgery and to treat a wide spectrum of blood infections.


A quinolone that is 4-quinolone substituted at position 3 by a formyl group.


name: 2-[[[4-[(4-chloroanilino)-oxomethyl]-1H-imidazol-5-yl]-oxomethyl]amino]acetic acid tert-butyl ester


(2R,4S)-2,4-diaminopentanoic acid

The (2R,4S)-diastereomer of 2,4-diaminopentanoic acid


N-(phosphonomethyl)iminodiacetic acid

A tertiary amino compound that consists of iminodiacetic acid bearing an N-phosphonomethyl substituent.


CHEATOGLOBOSIN D

A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium brasiliense.


2-ethyloctanedioic acid

An alpha,omega-dicarboxylic acid that is suberic (octanedioic) acid bearing an ethyl substituent at position 2.


hydroxy-amino acid

A non-proteinogenic alpha-amino acid bearing one or more hydroxy groups at unspecified positions.


A beta-diketone that is licodione in which the hydroxy group at position 2 of the 2,4-dihyroxyphenyl moiety has been converted into the its methyl ether.


A monosaccharide derivative that is (-)-11-hydroxy-9,10-dihydrojasmonic acid attached to a beta-D-glucopyranosyl residue at position 11 via a glycosidic linkage.


nonanophenone

An aromatic ketone that consists of benzene substituted by a nonanoyl group.


A 2,6-dimethyl-5-methylenehept-2-enoic acid having Z-configuration.


3-oxohexacosanoic acid

A very long-chain fatty acid that is hexacosanoic acid carrying a beta-oxo substituent.


milbemycin D

A milbemycin originally isolated from Streptomyces hygroscopicus with formula C33H48O7 that has insecticidal and anthelmintic proerties.


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


name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester


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


name: 5-[10-(5-methoxy-1,5-dioxopentyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-oxopentanoic acid methyl ester


MARIZOMIB

A salinosporamide in which the core (1R)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione skeleton is substituted at positions 1, 4, and 5 by (1S)-cyclohex-2-en-1-yl(hydroxy)methyl, 2-chloroethyl, and methyl groups, respectively (the 1R,4R,5S diastereoisomer). A potent proteasome inhibitor, it has attracted interest for potential use in the treatment of various cancers.


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


ethyl isovalerate

The fatty acid ethyl ester of isovaleric acid.


MESOTRIONE

An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.


ethyl 3,4-dihydroxybenzoate

An ethyl ester resulting from the formal condensation of the carboxy group of 3,4-dihydroxybenzoic acid with ethanol. It is the anti-oxidative component of peanut seed testa.


TOLUIC ACID

A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.


name: 4-[3-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester


TETRAHYDROCURCUMIN

A beta-diketone that is curcumin in which both of the double bonds have been reduced to single bonds.


ethyl L-methioninate

An L-methionine derivative that is the ester obtained by formal condensation of the carboxy group of L-methionine with ethanol.


clofibric acid

A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.


protectin

Docosanoids characterized by the presence of a conjugated system of double bonds.


COLUBRINIC ACID

A steroid acid isolated from the roots of Breynia fruticosa.


The (2S)-enantiomer of 2-ureidoglycine.


MELLITIC ACID

A benzene-derived hexacarboxylic acid in which each carbon of benzene carries a carboxy substituent.


name: 2-[[3-[(2-ethoxy-2-oxoethyl)thio]-5-oxo-2H-1,2,4-triazin-6-yl]amino]acetic acid butyl ester


COMAZAPHILONE C

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 prop-1-en-1-yl group at position 3 and a (3,4-dihydroxy-2-methoxy-6-methylbenzoyl)oxy group at position 7. Isolated from Penicillium commune, it exhibits antibacterial activity.


enniatin A

An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-isoleucine units.


BUTHIONINE SULFOXIME

A 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has S-configuration. It is a inhibitor of gamma-glutamylcysteine synthetase and glutathione (GSH) biosynthesis and is capable of enhancing the apoptotic effects of several chemotherapeutic agents.


name: 2-[[3-(methylthio)-1,2,4-thiadiazol-5-yl]thio]acetic acid (4-acetamidophenyl) ester


A sulfonamide in which the nitrogen carries methyl and 2-[4-(ethoxycarbonyl)piperazin-1-yl]-2-oxoethyl substituents and the sulfonyl a 4-chlorophenyl group.


name: 2-[[[2-(2-methoxyphenyl)ethylamino]-oxomethyl]amino]benzoic acid methyl ester


4-(beta-D-glucosyloxy)benzoic acid

A beta-D-glucoside of 4-hydroxybenzoic acid.


NEODYSIHERBAINE A

A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and hydroxy groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6R,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea.


A 3beta-hydroxy steroid that is 5beta-cholestane containing a double bond between positions 7 and 8, and substituted by an oxo group at position 6 and by hydroxy groups at the 3beta, 14alpha, 22 pro-R and 25 positions.


coniferyl benzoate

A benzoate ester obtained by the formal condensation of  coniferol with benzoic acid.


pikromycin

A macrolide antibiotic that is biosynthesised by Streptomyces venezuelae.


A methyl ketone that is pent-1-ene substituted by an oxo group at position 4.


name: 4-[(2-methoxy-1-oxoethyl)amino]benzoic acid ethyl ester


N-acyl-D-glutamic acid

An N-acyl-D-amino acid that is D-glutamic acid in which a hydrogen attached to the nitrogen has been replaced by an acyl group.


ISOBAVACHALCONE

A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4' and a prenyl group at position 3'.


PHAKELLISTATIN 14

A homodetic cyclic peptide isolated from a marine sponge Phakellia sp. It exhibits cytotoxic activity against murine P388 lymphocytic leukemia cells and moderate cancer cell growth inhibitory activity against a panel of human cancer cells.


fluoroacetaldehyde

An aldehyde that is acetaldehyde in which one of the hydrogens of the methyl group is replaced by fluorine.


3-oxodocosanoic acid

The 3-oxo monocarboxylic acid which has docasanoic (behenic) acid as the parent acid.


A methyl ketone that is pentan-2-one carrying a hydroxy group at position 5.


iminoaspartic acid

A succinic acid derivative having an imino group at the 2-position.


A 18-membered cyclodepsipeptide isolated from the culture broth of Flexibacter. It exhibits potent inhibitory activity against human leukocyte elastase (EC 6.5.1.1.).


METAXON

A chlorophenoxyacetic acid that is (4-chlorophenoxy)acetic acid substituted by a methyl group at position 2.


3,4-dimethylbenzoic acid

A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 4.


methyl 3-cyano-2-phenylpropanoate

A methyl ester that is methyl phenylacetate substituted at the alpha-position by a cyanomethyl group.


An omega-hydroxy fatty acid ascaroside that is oscr#22 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.


hexacarboxylic acid

An oxoacid containing six carboxy groups.


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


name: 2-[[2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]acetic acid (2,6-dimethylphenyl) ester


name: N-(13-methyltetradecanoyl)alanine methyl ester (iso-C15:0-NAME)


An L-alpha-amino acid consisting of L-lysine, to the epsilon amino group of which is attached a glycylglycine dipeptide through an isopeptide bond.


The 8(R)-isomer of HPODE.


4-hydroxy-2-oxoheptanedioic acid

An oxo dicarboxylic acid consisting of pimelic acid substituted at positions 2 and 4 by oxo and hydroxy groups respectively.


A thienopyrimidine that is thieno[3,2-d]pyrimidine which is substituted by a (carboxymethyl)sulfanediyl group at position 4 and by a 4-(methylsulfanyl)phenyl group at position 6. It is a STK17B kinase inhibitor.


S-octyl ethanethioate

A thioacetate ester of octane-1-thiol.


beta-L-aspartylhydroxamic acid

A non-proteinogenic L-alpha-amino acid that is L-asparagine hydroxylated at N-4.


A member of the class of naphthalenes that is naphthalene substituted by a 4-[(E)-2-carboxyethenyl]phenyl group at position 1. It is a small molecule that reverses diet-induced obesity and its associated metabolic disorders.


A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 8-hydroxystearic acid.


A kaempferol O-glucoside that is the 2''-acetyl derivative of kaempferol-3-O-beta-D-glucopyranosyl-7-O-beta-D-glucopyranoside (paeonoside). Isolated from Delphinium staphisagria, it exhibits trypanocidal activity.


DIHYDROFERULIC ACID

A monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 3 has been replaced by a 4-hydroxy-3-methoxyphenyl group.


N,N-dihydroxyhexahomomethionine

An N,N-dihydroxy-alpha-amino acid having a 9-thiadecyl substituent at the 2-position.


L-cysteinyl ester

Any ester of L-cysteine.


2-(hydroxymethyl)-4-oxobutanoic acid

A 4-oxo monocarboxylic acid that is 4-oxobutanoic acid which is substituted by a hydroxymethyl group at position 2.


bisphenol A dimethacrylate

A bisphenol that is bisphenol A condensed with two molecules of methacrylic acid.


3-sulfinopropionic acid

A monocarboxylic acid that is propionic acid in which one of the methyl hydrogens is replaced by a sulfino group.


An omega-hydroxy fatty acid ascaroside that is oscr#26 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.


N-acetylhistidine

A histidine derivative that is histidine in which one of the hydrogens of the alpha-amino group is substituted by an acetyl group.


ACETIC ACID HEXADECYL ESTER

An acetate ester derived from hexadecan-1-ol (palmityl alcohol); used as an emollient, masking agent and skin conditioner; pheromone constituent present in various species of mouse, arachnid and insect.


name: Spirostaphylotrichin M diacetat (4R*,5S)


3-hydroxybenzyl acetate

An acetate ester resulting from the formal condensation of the carboxy group of acetic acid with the hydroxy group of 3-hydroxybenzyl alcohol.


A monounsaturated fatty aldehyde that is octanal which has undergone formal dehydrogenation to give a double bond between positions 5 and 6.


An organic heterohexacyclic compound that is soladulcidine carrying an acetoxy substituent at position 23


aldehydo-L-rhamnose

The acyclic form of L-rhamnose.


name: 4-[5-[[[ethylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-2-furanyl]benzoic acid butyl ester


hydroxyacetophenone

Any member of the class of  acetophenones carrying at least one hydroxy substituent.


keto mycolic acid

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


A 2,3-dihydro-3-hydroxyanthranilic acid in which both stereocentres have S-configuration.


N-hydroxypentahomomethionine

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


desmethylnaproxen

A member of the class of naphthols that is naproxen in which the 6-methoxy group has been demethylated.


3-hydroxyglutaric acid

A 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I.


3-methyl-2-oxovaleric acid

A 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD).


N,N-dihydroxy-L-dihomomethionine

An N,N-dihydroxy-L-polyhomomethionine in which there are four methylene groups between the alpha-carbon and sulfur atoms.


diketoaldonic acid

Dioxo carboxylic acids formally derived from aldoses by replacement of two secondary CHOH groups by carbonyl groups.


APRATOXIN A

An aprotoxin having the common aprotoxin cyclodepsipeptide skeleton where the isoleucyl residue carries an N-methyl substituent and the side-chain adjacent to the lactone is tert-butyl.


name: 2-furancarboxylic acid (2-acetyl-1-benzothiophen-3-yl) ester


(8Z)-7-methyl-8-tetradecen-1-yl acetate

An acetate ester derived from (8Z)-7-methyl-8-tetradecen-1-ol.


name: 3-(diethylsulfamoyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester


name: 4-[5-[oxo-(3-pyridinylamino)methyl]-2-furanyl]benzoic acid ethyl ester


N-methyl-L-dopa

The L-enantiomer of N-methyldopa.


name: (7E)-3-[4-(4-buta-2,3-dienyloxy-benzyloxy)-phenyl]-acrylic acid methyl ester


oxfendazole

A member of the class of benzimidazoles that is fenbendazole in which the sulfur has been oxidised to the corresponding sulfoxide.


5-acetylamino-2-nitrobenzoic acid

An  amidobenzoic acid that is benzoic acid substituted by an acetoamido group at position 5 and a nitro group at position 2 respectively.


malvalic acid

A long-chain cyclopropenyl fatty acid comprising 8-heptadecenoic acid having a cyclopropene ring arising from the linking of C-8 and C-9 by a methylene substituent.


3-dehydro-D-gluconic acid

A ketoaldonic acid that is D-gluconic acid in which the hydroxy group at position 3 has been oxidised to the corresponding ketone.


A glutamine derivative with an acetyl group bound at the alpha-amino group.


A macrolide antibiotic that is the 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexoside of 10-deoxymethynolide.


nocardicin C

A monobactam that is produced by Nocardia uniformis subsp. tsuyamanensis.


CALTERIDOL

A tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as a 2-hydroxypropyl group at position 10.


A lysine derivative in which the N(epsilon) of the amino acid carries a 2-carboxyethyl group.


pyrraline

A pyrrole having formyl and hydroxymethyl substituents at positions 2 and 5 respectively; useful as indicator of advanced stages of the Maillard reaction, which produces advanced glycation end-products (AGEs).


A member of the class of acetophenones that is 2',4',6'-trihydroxyacetophenone in which the hydroxy group at position 4' is replaced by a methoxy group.


5-methyl-1-naphthoic acid

A member of the class of naphthoic acids that is 1-naphthoic acid substituted at position 5 by a methyl group.


CHLOROACETIC ACID

A chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent.


dihydrodehydro-beta-ionone

A member of the class of cyclohexadienes that is cyclohexa-1,3-diene substituted by a 3-oxobutyl group at position 1 and by methyl groups at positions 2 and 6.


The 3beta-stereoisomer of 3-hydroxy-5beta-pregnan-20-one.


XIMOPROFEN

A monocarboxylic acid that is 2-phenylpropionic acid in which the phenyl group is substituted at the para position by a 3-(hydroxyimino)cyclohexyl group.


A dihydroxy monocarboxylic acid that is 3-hydroxypropanoic acid substituted by a 3-hydroxyphenyl group at position 3.


alpha-bromoketone

A bromoketone in which the bromine and oxo substituents are on adjacent carbon atoms.


cis-9,10-epoxyoctadecanoic acid

A 9,10-epoxyoctadecanoic acid which has cis configuration.


proteinogenic amino acid

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


DIETHYL MALEATE

A maleate ester resulting from the formal condensation of both carboxy groups of maleic acid with ethanol. A colourless liquid at room temperature (m.p. -10degreeC) with boiling point 220degreeC at 1 atm., it is commonly used as a dienophile for Diels-Alder-type cycloaddition reactions in organic synthesis.


FRUTICOSIDE F

A steroid saponin that is ergosta-7,24(28)-diene-21-thioic S-acid attached to an acetyloxy group at position 2, an alpha-L-quinovopyranosyloxy group at position 3 and a methyl group at position 4 (the 2alpha,3beta,4alpha,5alpha stereoisomer). It has been isolated from the roots of Breynia fruticosa.


abyssinone A

A chromenol that is 2,2-dimethyl-2H-chromen-8-ol substituted by a 3-(2,4-dihydroxyphenyl)-3-oxoprop-1-en-1-yl group at position 6 (the E-isomer). It is isolated from the stems of Erythrina abyssinica and displays moderate cytotoxic effect against human colorectal cancer cell line.


A sterol ester that is ergosta-5,7,22,24(28)-tetraen-3beta-ol in which the hydroxyl hydrogen is substituted by an acetyl group.


wedelolactone

A member of the class of coumestans that is coumestan with hydroxy substituents as positions 1, 8 and 9 and a methoxy substituent at position 3.


N(alpha),N(alpha)-dimethyl-L-histidine

The N(alpha),N(alpha)-dimethyl derivative of L-histidine.


INDOLE-3-BUTYRIC ACID

A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1.


(1s,4s)-prephenic acid

A prephenic acid having (1s,4s)-cis-configuration.


The (2Z,4E)-stereoisomer of 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid.


SULINDAC SULFIDE

An  aryl sulfide that is a metabolite of  sulindac. A non-steroidal anti-inflammatory drug, which also has anticancer activity.


name: 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester


rosaramicin

A macrolide antibiotic with activity against Neisseria gonorrhoeae, Chlamydia trachomatis, Ureaplasma urealyticum and Mycoplasma hominis.


N-acetylmethionine

A methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group.


curcumin 4'-O-beta-D-gentiotrioside

A glycoside that is curcumin substituted by a beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->6)-beta-D-glucopyranoside group at position 4'.


trans-methylferulate

A cinnamate ester that is the methyl ester of ferulic acid. It has been isolated from Pisonia aculeata.


An olefinic compound that is butanal substituted by a methyl group at position 3 and a [(1Z)-prop-1-en-1-yl]oxy group at position 4 respectively.


An N-substituted pyrraline that is pyrraline in which the hydrogen attached to the pyrrole nitrogen has been replaced by a neopentyl (2,2-dimethylpropyl) group.


fatty acid 10:2

Any polyunsaturated fatty acid containing 10 carbons and 2 double bonds.


3-isopropenyl-6-oxoheptanoic acid

A 6-oxo monocarboxylic acid that is heptanoic acid bearing isopropenyl and oxo substituents at positions 3 and 6 respectively.


2-acetamido-5-oxopentanoic acid

A glutamic semialdehyde that is L-glutamate 5-semialdehyde in which one of the hydrogens of the amino group has been replaced by an acetyl group.


ANANOLIGNAN I

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma


name: 2-[[(4-bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester


propyl butyrate

A butyrate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of butyric acid.


An L-lysine derivative with a dansyl group at the N(6)-position.


trans-2-carboxybenzylidenepyruvic acid

A 4-(2-carboxyphenyl)-2-oxobut-3-enoic acid where the C=C double bond has (E)-configuration.


ethyl nonanoate

A fatty acid ethyl ester of nonanoic acid.


A member of the class of chalcones that is trans-chalcone substituted by a methyl group at position 3', hydroxy groups at positions 2' and 4' and a methoxy group at position 6'. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.


A chloroamino acid that is L-threonine in which one of the hydrogens of the terminal methyl group has been replaced by a chlorine.


CHLORPROPHAM

A carbamate ester that is the isopropyl ester of 3-chlorophenylcarbamic acid.


The D-threo-isomer of a ketoaldonic acid compound.


(S)-metolachlor OXA

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


CHAETOGLOBOSIN E

A  cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine.


resibufagenin

A steroid lactone that has been used in the treatment of preeclampsia. A synthetic bufadienolide it is an antagonist of marinobufagenin (MBG) and differs from it by replacement of its 5beta-OH and 13beta-Me groups by hydrogen.


name: 2-chloro-5-[5-[(5-cyano-4-methyl-2,6-dioxo-3-pyridinylidene)methyl]-2-furanyl]benzoic acid ethyl ester


S-oxy-L-cysteine

A cysteine derivative consiting of L-cysteine carrying an S-oxy-substituent.


MIROPROFEN

A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(imidazo[1,2-a]pyridin-2-yl)phenyl group. A non-steroidal anti-inflammatory drug that also exhibits analgesic, antipyretic and platelet aggregation inhibition properties.


name: 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester


A polyalkyl-substituted tripyrrane dicarboxylic acid, a precursor of a porphyrin system.


estradiol benzoate

A benzoate ester resulting from the formal condensation of benzoic acid with the phenolic hydroxy group of 17beta-estradiol.


A 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid.


A non-proteinogenic L-alpha-amino acid that is the N(6)-formyl derivative of L-lysine.


HYDROXYSAFFLOR YELLOW A

A C-glycosyl compound that is 3,4,5-trihydroxycyclohexa-2,5-dien-1-one which is substituted by beta-D-glucosyl groups at positions 2 and 4, and by a p-hydroxycinnamoyl group at position 6. It is the main bioactive compound of a traditional Chinese medicine obtained from safflower (Carthamus tinctorius).


METRAFENONE

A member of the class of benzophenones that is benzophenone in which one of the phenyl groups is substituted by methoxy groups at positions 2, 3, and 4 and by a methyl group at position 6, while the other is substituted at positions 2, 3, and 6 by methyl, bromine, and methoxy groups, respectively. A fungicide with protectant and curative properties, it is used for the control of powdery mildew in cereals and grape vines.


D-ethionine

An S-ethylhomocysteine that has R-configuration at the chiral centre.


harziphilone

A member of the class of isochromanes that is 1,5,6,7-tetrahydro-8H-isochromen-8-one substituted by hydroxy groups at positions 6 and 7, a methyl group at position 7 and a penta-1,3-dien-1-yl moiety at position 3. Isolated from the fermentation broth of Trichoderma harzianum, it exhibits anti-HIV activity.


2-chlorosuccinic acid

A C4-dicarboxylic acid that is succinic acid substituted at position 2 by a chloro group.


S-ethylhomocysteine

A  non-proteinogenic alpha-amino acid that is methionine in which the S-methyl group is replaced by an S-ethyl group.


(S)-prasugrel

An 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate that is the (S)-enantiomer of prasugrel (the racemate is a cardiovascular drug).


The glycosyloxyflavone resulting from the condensation of the hydroxy group at position 7 of luteolin with the 1 position of 2-O-beta-D-glucopyranuronosyl-beta-D-glucopyranosiduronic acid.


4-chlorophenylacetic acid

A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group.


molnupiravir

A nucleoside analogue that is N(4)-hydroxycytidine in which the 5'-hydroxy group is replaced by a (2-methylpropanoyl)oxy group. It is the prodrug of the active antiviral ribonucleoside analog N(4)-hydroxycytidine (EIDD-1931), has activity against a number of RNA viruses including SARS-CoV-2, MERS-CoV, and seasonal and pandemic influenza viruses. It is currently in phase III trials for the treatment of patients with COVID-19.


3-(4'-acetoxyphenyl)propionic acid

A monocarboxylic acid that is propionic acid substituted by a 4'-acetoxyphenyl group at position 3.


bifenthrin

A carboxylic ester obtained by formal condensation of cis-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropanecarboxylic acid and [(2-methyl-1,1'-biphenyl)-3-yl]methanol.


propyl octanoate

An octanoate ester resulting from the formal condensation of the carboxy group of octanoic acid (caprylic acid) with the hydroxy group of propan-1-ol.


N-formyl amino acid

Any N-acyl amino acid which has formyl as the acyl group.


name: N-[3-(ethoxycarbonylamino)-2,2-dimethylpropyl]carbamic acid ethyl ester


streptothricin acid

Any delta-amino acid obtained by the formal hydrolysis of the lactam group of a streptothricin.


chloroamino acid

A  haloamino acid that is an amino acid carrying at least one halogen atom.


sulcatone

A  heptenone that is hept-5-en-2-one substituted by a methyl group at position 6. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil.


alpha-methyl-L-histidine

An alpha-methylhistidine that has L-configuration.


L-(R)-iprovalicarb

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


A sphingoid that is 3-dehydrohexadecasphinganine substituted at position 15 by a methyl group.


aspartic acid-1,4-(13)C2

A (13)C-modified compound that is apspartic acid in which the carbon atoms at postions 1 and 4 are present as their (13)C isotopes.


2,3,5-trichlorobenzoic acid

A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 2,3 and 5 are substituted by chloro groups.


N-malonyltryptophan

A tryptophan derivative resulting from the formal condensation of the alpha-amino group of tryptophan with malonic acid.


ketorolac

A racemate comprising equimolar amounts of (R)-(+)- and (S)-(-)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-(-) enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure.


FENPROPATHRIN

A cyclopropanecarboxylate ester obtained by formal condensation between  2,2,3,3-tetramethylcyclopropanecarboxylic acid and cyano(3-phenoxyphenyl)methanol.


AFALANINE

The N-acetyl derivative of phenylalanine.


chloroketone

A ketone containing a chloro substituent.


perfluorooctanoic acid

A fluoroalkanoic acid that is perfluorinated octanoic acid.


coniferyl acetate

An acetate ester obtained via formal condensation of the allylic hydroxy function of coniferol with acetic acid.


ethyl octanoate

A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol.


benzaldehydes

Any arenecarbaldehyde that consists of a formyl substituted benzene ring and its substituted derivatives thereof.


viscumneoside VII

A viscumneoside that is viscumneoside IV in which the hydroxy group at position 2 of the glucosyl moiety has been converted to the corresponding beta-D-apifuranoside derivative. Found in Viscum coloratum, an evergreen hemiparasitic plant whose stems and leaves are used in traditional Chinese medicine for the treatment of rheumatism.


onetine

A pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea.


dodecyl dodecanoate

A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol.


A deoxygalactonolactone with the hydroxy group at position 6 replaced by hydrogen.


A diketone that is hexane substituted by oxo groups at positions 2 and 5. It is a toxic metabolite of hexane and of 2-hexanone


An aminoimidazole that is 1H-imidazole substituted by 1-carboxy-2-phenylethyl, cyano(imino)methyl, and amino groups at positions 1, 4 and 5, respectively. It is a chemical intermediate.


ZINGERONE

A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger.


cholesteryl palmitate

A cholesterol ester obtained by the formal condensation of cholesterol with palmitic acid.


A epsilon-lactone that is oxepan-2-one substituted by an isoprenyl group at position 4 and a methyl group at position 7.


3-(imidazol-5-yl)lactic acid

A 2-hydroxy monocarboxylic acid that is lactic acid in which one of the methyl hydrogens has been replaced by an imidazol-5-yl group.


pyrroledicarboxylic acid

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


THIOPHENE CARBOXYLIC ACID

A thiophenecarboxylic acid in which the carboxy group is located at position 2.


name: 3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-1H-indole-2-carboxylic acid methyl ester


epi-isochromophilone II

An  azaphilone that is 7,8-dihydro-6H-isochromen-6-one substituted by a chloro group at position 5, a 3,5-dimethylhepta-1,3-dien-1-yl group at position 3, a hydroxy group at position 7, a methyl group at position 7 and a 2-oxopropyl group at position 8. Isolated from Chaetomium cupreum, it exhibits antifungal activity.


4alpha-formyl steroid

Any 4-formyl steroid in which the formyl group at position 4 has alpha- configuration.


(2S)-2-amino-4-phosphonobutanoic acid

A non-proteinogenc L-alpha-amino acid that is L-alpha-aminobutyric acid in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group. It is a potent and selective agonist for the group III metabotropic glutamate receptors (mGluR4/6/7/8).


meclofenamic acid

An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.


A non-proteinogenic alpha-amino acid that is alanine in which one of the methyl hydrogens has been replaced by a 2-methylenecyclopropyl group. The phytotoxin known as hypoglycin A is a mixture of the diastereoisomers that have L configuration at the amino-bearing carbon.


A dihydroxyacetophenone that is acetophenone carrying hydroxy groups at positions 3' and 4'.


A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group is substituted by nitro, hydroxy and nitro groups at positions 3, 4 and 5 respectively.


An alpha,beta-unsaturated monocarboxylic acid that is cyclohexa-1,3-diene-1-carboxylic acid carrying an amino group at position 5.


An alpha,beta-unsaturated monocarboxylic acid that is cis,cis-hexa-2,4-dienoic acid substituted by a hydroxy group at position 2, a 2-hydroxyphenyl group at position 6 and an oxo group at position 6.


enone

An alpha,beta-unsaturated ketone of general formula R(1)R(2)C=CR(3)-C(=O)R(4) (R(4) =/= H) in which the C=O function is conjugated to a C=C double bond at the alpha,beta position.


name: 2-[[1-oxo-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]ethyl]amino]benzoic acid methyl ester


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


fluciclovine (18F)

A member of the class of cyclobutanes that is cyclobutane which carries a carboxy, amino and ((18)F)fluoro groups at positions 1, 1 and 3, respectively (the 1r,3r-stereoisomer). It is a positron emission tomography (PET) radiotracer for visualizing prostate cancer.


name: 3,4-dimethoxybenzoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


D-alpha-aminobutyric acid

An optically active form of alpha-aminobutyric acid having D-configuration.


saturated fatty ester C42H84O2

A fatty acid ester which is fully saturated and which contains a total of 42 carbon atoms.


A lipid hydroperoxide that consists of 2,3-dioxabicyclo[2.2.1]heptane substituted by a 11-methoxy-11-oxoundec-1-en-1-yl and a 3-hydroperoxypent-1-en-1-yl groups at positions 5 and 6 respectively.


EMERICELLAMIDE B

An emericellamide derived from N-[(2R,3R,4S,6S)-3-hydroxy-2,4,6-trimethyldodecanoyl]glycyl-L-valyl-L-leucyl-L-alanyl-L-alanine by the formal intramolecular condensation of the alcoholic hydroxy group with the C-terminal carboxylic acid group.


tolprocarb

A carbamate ester that is the 2,2,2-trifluoroethyl ester of [(2S)-3-methyl-1-(4-methylbenzamido)butan-2-yl]carbamic acid. It is a novel systemic fungicide used for controlling rice blast.


A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively.


sinularia glycoside

A steroid saponin that is 3,7,16-trihydroxyergosta-5,24(28)-diene substituted by a 4-O-acetyl-6-deoxy-alpha-L-galactopyranosyl residue at position 3 via a glycosidic linkage (the 3beta,7beta,16beta stereoisomer). Isolated from Sinularia crispa, it exhibits spermatostatic activity.


METRONIDAZOLE BENZOATE

A benzoate ester resulting from the formal condensation of benzoic acid with the hydroxy group of metronidazole.


butyl 3-(methylsulfanyl)propanoate

A carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with butan-1-ol.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-18-hydroxyoctadec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


2-methylbutyl acetate

The  acetate ester of 2-methylbutan-1-ol.


(S)-1'-methyloctyl caffeate

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


S-hydroxy-L-cysteine

A cysteine derivative consisting of L-cysteine carrying an S-hydroxy-substituent.


2-NAPHTHYLACETIC ACID

A naphthylacetic acid carrying a carboxy group at position 2.


mochimganine

A benzoate ester resulting from the formal condensation of the carboxy group of vanillic acid with the hydroxy group of cyclohexanol.


albendazole

A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations.


2-(omega-methylthio)alkylmalic acid

A 2-hydroxydicarboxylic acid that is any 2-alkylmalic acid in which one of the terminal methyl hydrogens has been replaced by a methylthio group.


A fatty acid ester obtained by formal condensation of the carboxy group of (9Z)-octadecenoic acid with the hydroxy group of 5-hydroxyoctadecanoic acid.


4,6-dioxohept-2-enedioic acid

A heptenedioic acid that is hept-2-enedioic acid substituted by oxo groups at positions 4 and 6.


A monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group at the 3-position.


L-penicillamine

The L-enantiomer of penicillamine.


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 carboxy groups.


name: 4-[(2-methoxyphenyl)-methylsulfamoyl]benzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester


2-naphthyl butyrate

A butyrate ester obtained by formal condensation of the carboxy group of butyric acid with the hydroxy group of 2-naphthol.


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


phthalic acid monoester

A dicarboxylic acid monoester resulting from the formal condensation of an alcoholic or aromatic hydroxy group with just one of the two carboxy groups of phthalic acid.


tridecadienoic acid

A C13 carboxylic acid having two double bonds at unspecified positions in the chain.


S-acetylglutathione

An S-acylglutathione in which the S-acyl group is specified as acetyl.


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


A heptadienal in which the two double bonds are located at positions 2 and 4 (the E,E-geoisomer).


SEBACIC ACID

An alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane.


name: Cyclopenta[b]pyran-5-octanoic acid, octahydro-.epsilon.,2,6-trioxo-, (4aR,5R,7aS)-


A methyl ketone that is acetophenone substituted by an acetoxy group at position 4.


IMAZAQUIN

A quinolinemonocarboxylic acid that is quinoline-3-carboxylic acid which is substituted by a 4-methyl-5-oxo-4-(propan-2-yl)-4,5-dihydro-1H-imidazol-2-yl group at position 2.


griseophenone C(1-)

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


hydroxycinnamic acid

Any member of the class of  cinnamic acids carrying one or more hydroxy substituents.


hydrocortisone butyrate

Cortisol esterified with butyric acid at the 17-hydroxy group.


monomethyl glutaric acid

A dicarboxylic acid monoester that the monomethyl ester of  glutaric acid.


(+)-7-isojasmonic acid

An oxylipin that is [(1S)-3-oxocyclopentyl]acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 on the cyclopentanone ring.


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


IPOMOTAOSIDE C

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


teixobactin

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


4-trifluoromethylbenzoic acid

A benzoic acid carrying a 4-trifluoromethyl substituent.


name: N-[1-methyl-3-(trifluoromethyl)-5-thieno[2,3-c]pyrazolyl]carbamic acid (4-fluorophenyl)methyl ester


ethyl N-acetyl-L-tyrosinate

An L-tyrosine derivative that is the ethyl ester of N-acetyltyrosine.


cholesteryl octadecadienoate

A cholesterol ester in which the acyl group contains 18 carbons and 2 double bonds.


A hexadienal that is hexa-2,5-dienal substituted by a an isopropyl group at position 5 and a methy group at position 2 (the 2E-stereoisomer).


pentyl dodecanoate

A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of pentan-1-ol.


D-mannopyranuronic acid

The pyranose form of D-mannonic acid.


An enoate ester obtained by the formal condensation of the 4'-hydroxy group of luteolin 7-O-beta-D-glucoside with the carboxy group of angelic acid.


2,4-dioxopentanedioic acid

An oxodicarboxylic acid that is glutaric acid which is substituted by oxo groups at positions 2 and 4.


ZHANKUIC ACID C

A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by hydroxy groups at positions 3 and 12, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha,12alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits antineoplastic activity.


methyl (R)-lactate

A methyl lactate that has R configuration.


A non-proteinogenic L-alpha-amino acid that is N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-serine.


A cholesteryl 6-O-acyl-beta-D-galactoside having decanoyl as the 6-O-acyl group.


name: 2-furancarboxylic acid [2-(cyclohexylamino)-2-oxo-1-phenylethyl] ester


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


ZAPA

An imidothiocarbamic ester that is (2Z)-prop-2-enoic acid with a carbamimidoylsulfanyl group at position 3.


A 4-oxo derivative of but-1-ene-1,2,4-tricarboxylic acid with (E)-stereochemistry about the C=C bond.


name: 2-[8-[[bis(phenylmethyl)amino]methyl]-3-methyl-2,6-dioxo-7-purinyl]acetic acid ethyl ester


pivampicillin

A penicillanic acid ester that is the pivaloyloxymethyl ester of ampicillin. It is a prodrug of ampicillin.


(2-ethoxyethoxy)acetic acid

A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 2-ethoxyethoxy group.


decenals

A monounsaturated fatty aldehyde that is decanal which has undergone formal dehydrogenation to introduce a double bond at unspecified position.


globisporamic acid

A member of the class of toluenes that is toluene substituted by a (1E)-12-carboxydodec-1-en-1-yl group at position 2.


name: 4-methyl-3-nitrobenzoic acid [[1-amino-2-(2-methoxyphenyl)ethylidene]amino] ester


N-acyl-gamma-aminobutyric acid

A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of gamma-aminobutyric acid.


6-METHOXY-2-NAPHTHYLACETIC ACID

A monocarboxylic acid consisting of 2-naphthylacetic acid having a methoxy substituent at the 6-position. The active metabolite of the prodrug nabumetone.


ethyl 2-heptenoate

The fatty acid ethyl ester of  2-heptenoic acid.


4-nitro-6-oxohepta-2,4-dienedioic acid

An oxo dicarboxylic acid that is 6-oxohepta-2,4-dienedioic acid substituted at position 4 by a nitro group.


(R)-climbazole

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


name: 5-fluoro-3-[(4-methoxyphenyl)sulfonylamino]-1H-indole-2-carboxylic acid methyl ester


(R)-monastrol

An ethyl 4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate that has R configuration.


sch 642305

A macrocyclic lactone isolated from the fermentation broth of the fungal culture Penicillium verrucosum and has been shown to exhibit inhibitory activity against bacterial DNA primase enzyme.


ridaforolimus

A semisynthetic derivative that is sirolimus in which the hydroxy group attached to the cyclohexyl moiety has been converted to the corresponding dimethylphosphinate.


4-methylumbelliferyl butyate

A member of the class of coumarins that is 4-methylumbelliferone in which the hydroxyl hydrogen is replaced by a butyryl group.


A glycine derivative that is glycine in which one of the hydrogens of the amino group is substituted by a 2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl group.


lejimalide B

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


An enone that is 3-penten-2-one carrying an additional hydroxy substituent at position 4.


An aromatic ketone that is propiophenone in which the hydrogen alpha- to the keto group has been replaced by a methylamino group.


An enoate ester obtained by formal condensation of the hydroxy function of (1R,2S,3S,4S)-4-formyl-2-methoxy-3-[(2E)-6-methylhept-2-en-2-yl]cyclohexanol with the carboxy group of 4-methoxycinnamic acid.


vanillyl alcohol diacetate

A phenyl acetate that is the diacetate obtained from the formal condensation of the two hydroxy groups of vanillyl alcohol with two molecules of acetic acid.


TPCK

The N-tosyl derivative of L-phenylalanyl chloromethyl ketone.


AUSTRALIFUNGIN

A carbobicyclic compound that is 4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one substituted by hydroxy groups at positions 2, 5 and 8, a (2Z)-3-hydroxyprop-2-enoyl group at position 4, methyl groups at positions 4 and 7 and a 2R-octan-2-yl group at position 3 (the 4S,4aR,5S,7R,8R,8aS stereoisomer). It is isolated from the fermentation extracts of Sporormiella australis and exhibits antifungal activity by interfering with the fungal lipid metabolism.


A 5-hydroxyhexan-2-one that has R configuration.


alvaradoin G

A C-glycosyl compound that is 1,8-dihydroxy-3-methylanthracen-9(10H)-one substituted by a 1-O-acetyl-3-O-senecioyl-alpha-L-lyxopyranosyl moiety at position 10 via a C-glycosidic linkage (the 10R stereoisomer). It is isolated from the leaves of Alvaradoa haitiensis and exhibits cytotoxicity against human oral epidermoid carcinoma.


cis-sinapic acid

A 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid in which the double bond has cis-configuration. It has been isolated from the shoots of alfalfa.


A ketoaldonic acid obtained by oxidation of the 8-hydroxy group of 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid to the corresponding aldehyde.


(S)-6-acetamido-3-aminohexanoic acid

A 6-acetamido-3-aminohexanoic acid in which the chiral centre at position 3 has S-configuration.


TRAUMATIC ACID

A monounsaturated straight-chain dicarboxylic acid with the double bond at C-2; a plant wound-healing hormone.


acenocoumarol

A hydroxycoumarin that is warfarin in which the hydrogen at position 4 of the phenyl substituent is replaced by a nitro group.


oxybutynin

A carboxylic ester resulting from the formal condensation of the carboxy group of cyclohexyl(hydroxy)phenylacetic acid with the hydroxy group of 4-(diethylamino)but-2-yn-1-ol.


3,5-dihydroxyphenylglyoxylic acid

A 2-oxo monocarboxylic acid that is glyoxylic acid in which the aldehyde hydrogen is substituted by a 3,5-dihydroxyphenyl group.


(1-hydroxycyclopentyl)phenylacetic acid

(1-hydroxycyclopentyl)acetic acid in which one of the hydrogens alpha to the carboxylic acid group is substituted by a phenyl group.


palmitoleyl oleate

A wax ester obtained by the formal condensation of hexadecen-1-ol with  oleic acid.


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


A glycosylglucopyranuronic acid consisting of beta-D-xylopyranose and D-glucopyranuronic acid residues joined in sequence by a (1->2) glycosidic bond.


name: N-[6-(propan-2-ylthio)-1H-benzimidazol-2-yl]carbamic acid methyl ester


A dicarboxylic acid diamide consisting of 3-aminoalanine in which the alpha-amino fuunction is acylated by a 3-carbamoyloxirane-2-carbonyl group. NB Although the relative configuration of the epoxide moiety has been assigned as trans, it has not yet been established whether the absolute configuration is R,R (as drawn) or S,S.


(2E,4Z)-hexa-2,4-dienoic acid

One of four possible geometric isomers of sorbic acid, having trans- and cis-double bonds at positions 2 and 4 respectively.


bambuterol

A carbamate ester that is terbutaline in which both of the phenolic hydroxy groups have been protected as the corresponding N,N-dimethylcarbamates. A long acting beta-adrenoceptor agonist used in the treatment of asthma, it is a prodrug for terbutaline.


name: 5-methyl-4-(4-methylphenyl)-2-[[2-[(1-methyl-5-tetrazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester


name: 4-methyl-2-[[3-(5-methyl-2-furanyl)-1-oxoprop-2-enyl]amino]-5-thiazolecarboxylic acid methyl ester


dichotomoside D

A neolignan that is dibutyl 3,3'-biphenyl-3,3'-diyldipropanoate substituted by a beta-D-glucopyranosyloxy group at position 6, hydroxy group at position 6' and methoxy groups at positions 5 and 5' respectively. Isolated from the roots of Stellaria dichotoma var lanceolata, it exhibits anti-allergic activity.


name: 2-Propanol, 1-(dimethylamino)-, acetate (ester)


cholesteryl nonadecanoate

A cholesterol ester derived obtained by formal condensation of the carboxy group of nonadecanoic acid with the 3-hydroxy group of cholesterol.


A non-proteinogenic alpha-amino acid that is tyrosine in which the hydrogens at positions 2 and 3 as well as the phenolic hydrogen are replaced by methyl groups.


2-(4-chlorophenyl)-3-methylbutyric acid

A monocarboxylic acid consisting of isovaleric acid having a 4-chlorophenyl group at the 2-position.


undecanedioic acid

An alpha,omega-dicarboxylic acid that is nonane with two  carboxylic acid groups at positions C-1 and C-9.


LYCOGALIC ACID A

A pyrroledicarboxylic acid that is pyrrole-2,5-dicarboxylic acid in which the hydrogens at positions 3 and 4 have been replaced by indol-3-yl groups.


anisindione

A cyclic beta-diketone consisting of indane-1,3-dione having a 4-methoxyphenyl substituent at the 4-position.


mallotophilippen B

A chromenol that is 2H-chromene-5,7-diol substituted by geminal methyl groups at position 2, a 2-methylbutanoyl group at position 8 and a 3-acetyl-2,4,6-trihydroxy-5-methylbenzyl group at position 6. Isolated from Mallotus philippensis, it exhibits anti-inflammatory activity.


BINAPACRYL

A racemate comprising equimolar amounts of (R)- and (S)-binapacryl.  An obsolete fungicide and acaricide once used to control of panonychid and tetranychid mites on certain fruits, mainly apple, and vegetables.


A docosanoid that is (4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at positions 10 and 17.


THIOPHANATE

A member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould.


An omega-hydroxy fatty acid ascaroside that is oscr#24 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.


polyunsaturated fatty acid

Any fatty acid containing more than one double bond. Acids in this group are reported to have cardioprotective effects; and levels are lowered in chronic fatigue syndrome.


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


dehypoxanthine futalosine

An analogue of futalosine lacking the hypoxanthine moiety.


Major microspecies at pH 7.3.


enniatin A1

An enniatin obtained from formal cyclocondensation of one N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine and two N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-isoleucine units.


N-hydroxy-alpha-amino-acid

Any amino acid in which at least one hydrogen attached to the amino group is replaced by a hydroxy group.


name: 5-[2-(2,6-dioxocyclohexylidene)hydrazinyl]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester


fatty acid 8:0

Any saturated fatty acid containing 8 carbons and 0 double bonds.


heterocyclic fatty acid

Any fatty acid containing a ring composed of atoms including at least one heteroatom.


O-acetylferulic acid

A phenyl acetate obtained by the formal condensation of the phenolic group of ferulic acid with acetic acid.


2,3-dihydro-3-hydroxyanthranilic acid

An amino alcohol which is 2,3-dihydranthranilic acid in which a hydrogen at position 3 is substituted by a hydroxy group.


A 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk.


3-hydroxy-2,2-dimethylbutyric acid

A 3-hydroxy monocarboxylic acid that is 2,2-dimethylbutyric acid carrying a single hydroxy substituent at position 3.


lauryl palmitoleate

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


S-anthraniloyl-L-cysteine

An L-cysteine derivative obtained by formal condensation of the carboxy group of anthranilic acid with the side-chain thiol group of L-cysteine.


L-glutamic acid 5-methyl ester

A glutamic acid 5-methyl ester having L-configuration.


A member of the class of isocoumarins isolated from the marine fungus Alternaria tenuis and has been shown to exhibit cytotoxic activities.


MICROSPINOSAMIDE

A cyclodepsipeptide isolated from the marine sponge Sidonops microspinosa and has been shown to exhibit anti-HIV-1 activity.


glyceric acid

A trionic acid that consists of propionic acid substituted at positions 2 and 3 by hydroxy groups.


fatty acid 24:0

Any saturated fatty acid containing 24 carbons and 0 double bonds.


A 26-oxo steroid resulting from the oxidation of the terminal methyl group of 4beta,26-dihydroxycholesterol to the corresponding aldehyde.


2-methoxyhexadecanoic acid

A long chain fatty acid consisting of hexadecanoic (palmitic) acid carrying a methoxy substituent at position 2; naturally occurring only in the phospholipids of sponges.


METHYL TETRADECANOATE

A fatty acid methyl ester resulting from the formal condensation of the carboxy group of tetradecanoic acid (myristic acid) with methanol.


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

description: A carboxylic ester that results from the condensation of the carboxylic acid group of (S)-2-trans-abscisic acid with the anomeric hydroxy group of D-glucopyranose.


propyl propionate

A propanoate ester resulting from the formal condensation of the hydroxy group of propanol with the carboxy group of propanoic acid.


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


(R)-4-hydroxymandelic acid

A 4-hydroxymandelic acid that has R-configuration.


methyl-branched fatty acid 14:0

Any saturated methyl-branched fatty acid containing 14 carbons and 0 double bonds.


NAFENOPIN

A monocarboxylic acid that is 2-hydroxy-2-methylpropanoic acid in which ther tertiary hydroxy group has been converted into the corresponding p-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl ether.


An alpha-D-glucoside that is (27R)-1,27-dihydroxyoctacosan-3-one on which the hydroxyl hydrogen at position 1 has been replaced by an alpha-D-glucosyl residue.


An amino trisaccharide consisting of N-acetylneuraminic acid, D-galactopyranose and alpha-D-glucopyranose residues joined in sequence by (2->3) and (1->4) glycosidic bonds.


A 3-chloroalanine that has R configutation at the chiral centre.


name: 2-[(1-oxo-2-phenoxyethyl)amino]benzoic acid methyl ester


perfluorooctane sulfonamidoacetic acid

A monocarboxylic acid that is (sulfoamino)acetic acid substituted by a heptadecafluorooctyl group at the sulfur atom.


trans-2-methylcrotonic acid

A 2-methylbut-2-enoic acid having its double bond in trans-configuration.


N-acetyl-L-serine

An N-acetyl-L-amino acid in which the amino acid specified is L-serine. Metabolite observed in cancer metabolism.


A benzoate ester that is methyl benzoate substituted by an acetoxy group at position 4.


RACEMETHIONINE

A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.


N-acetyl-D-methionine

An N-acetyl-D-amino acid in which the amino acid is D-methionine.


name: N-methyl-N-phenylcarbamic acid (4-tert-butylphenyl) ester


A glucosyl hydroxycinnamic acid that is the cinnamate ester obtained by the formal condensation of the carboxy group of trans-sinapic acid with the anomeric hydroxy group of beta-D-glucose.


butyl butanoate

A butanoate ester of butan-1-ol.


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


2-amino-3-phosphonopropanoic acid

A non-proteinogenc alpha-amino acid that is alanine in which one of the hydrogens of the terminal methyl group has been replaced by a dihydroxy(oxido)-lambda(5)-phosphanyl group.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the 2-acyl group is specified as octanoyl while the 1-acyl group remains unspecified.


butyl hexadecanoate

A hexadecanoate ester obtained by formal condensation of the carboxy group of hexadecanoic acid with the hydroxy group of butanol.


A cholesterol ester in which the acyl group contains 22 carbons in total and 6 double bonds.


The alpha-anomer of 3-deoxy-D-manno-oct-2-ulopyranosonic acid.


physalin B

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


An organofluorine compound consisting of cyclopropanecarboxylic acid having a 2-chloro-3,3,3-trifluoroprop-1-en-1-yl group at the 3-position and two methyl groups at the 2-position.


name: 3-chlorobenzoic acid [[amino-(5-methyl-3-isoxazolyl)methylidene]amino] ester


N-oleoyl-L-glutamine

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


N-hexanoylglycine

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


A member of the class of benzaldehydes carrying hydroxy and methoxy substituents at positions 2 and 5 respectively.


A glycosyloxyflavone that is myricetin 3-O-[beta-D-glucosyl-(1->2)-alpha-L-rhamnoside] in which the hydroxy group at position 6 of the beta-D-glucosyl group has been converted to the corresponding acetate.  Identified in PMID: 23549747 Fig. S21 peak 4.


L-erythro-isocitric acid

The (1R,2R)-stereoisomer of isocitric acid.


An optically active tricarboxylic acid that consists of 1,4,7,10-tetraazacyclododecane bearing three carboxymethyl substituents at positions 1, 4 and 7 as well as an (R)-2-hydroxypropyl group at position 10.


short-chain fatty aldehyde

Any fatty aldehyde with a chain length of less than C6.


2-trans-abscisic acid D-glucosyl ester

An enoate ester that results from the condensation of the carboxylic acid group of 2-trans-abscisic acid with the anomeric hydroxy group of D-glucopyranose.


eucalyptal B

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.


vanillylmandelic acid

An aromatic ether that is the 3-O-methyl ether of 3,4-dihydroxymandelic acid.


3-chloromuconic acid

A monochloromuconic acid carrying a chloro group at position 3.


A dicarboxylic acid monoester that resulting from the formal condensation of one of the carboxy groups of terephthalic acid with one of the hydroxy groups of ethylene glycol.


ethyl (2S)-lactate

The (2S)-enantiomer of ethyl lactate.


viscumneoside IV

A viscumneoside that is rhamnacine (3',7-dimethylquercetin) in which the hydroxy group at position 3 has been converted to the corresponding beta-D-glucoside and in which the hydroxy group at position 6 of the glucosyl moiety has been acylated by formal condensatio with the pro-R carboxy group of 3-hydroxy-3-methylglutaric acid.


A fatty acid phytyl ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of all-cis-7,10,13-hexadecatrienoic acid.


4-acetylphenyl hydrogen sulfate

An aryl sulfate that is 4-acetylphenol in which the phenolic hydrogen has been replaced by a sulfo group.


A L-threonine derivative that is N-acetyl-alpha-D-galactosamine linked via an alpha glycosidic bond to the O at position 3 of L-threonine.


threo-3-methyl-L-aspartic acid

An aspartic acid derivative having a 3-methyl substituent.


pentadienoic acid

Any 5-carbon fatty acid containing two double bonds.


mycosporine-like amino acid

Water-soluble UV-absorbing secondary metabolites characterized by a cyclohexenone or cycloheximine chromophore conjugated with the nitrogen substituents of amino acids or their imino alcohols. They typically have absorption maxima ranging from 309 to 360 nm and an average molecular weight of around 300. They occur in taxonomically diverse organisms.


An amino disaccharide consisting of N-acetyl-beta-D-glucosamine having a 4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl residue attached at the 3-position.


An N-methyl-L-asparagine with a single methyl substituent attached to the amide nitrogen.


glutamine

An alpha-amino acid that consists of butyric acid bearing an amino substituent at position 2 and a carbamoyl substituent at position 4.


methocarbamol

A racemate comprising equimolar amounts of (R)- and (S)-methocarbamol. A centrally acting skeletal muscle relaxant, it is used as an adjunct in the short-term symptomatic treatment of painful muscle spasm. The (R)-enantiomer is more active than the (S)-enantiomer.


patulin-4-bromothiophenol adduct

An organosulfur compound that is a di-thiol adduct resulting from the reaction of the mycotoxin patulin with 4-bromothiophenol. Used in research into developing user-friendly and rapid immunoanalytical techniques for the decontamination by patulin in foodstuffs.


isohomovanillic acid

A member of the class of phenylacetic acids that is the 4-O-methyl ether of (3,4-dihydroxyphenyl)acetic acid.


A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid having an epoxy group across positions 16 and 17.


maleamic acid

A dicarboxylic acid monoamide of maleamic acid.


TRIFLUOROACETIC ACID

A monocarboxylic acid that is the trifluoro derivative of acetic acid.


A C-nitro compound that is benzaldehyde substituted at the para-position with a nitro group.


2-(D-glucosyloxy)benzoic acid

A monosaccharide derivative that is salicylic acid in which the phenolic hydrogen is replaced by a D-glucosyl residue.


METHYL CARBAMATE

A carbamate ester resulting from the formal condensation of the carboxy group of carbamic acid with methanol.


vanillin

A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively.


A hydroperoxydocosapentaenoic acid that is (7Z,11Z,13Z,15E,19Z)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17.


p-coutaric acid

A cinnamate ester obtained by formal condensation of the carboxy group of a 4-coumaric acid with one of the hydroxy groups of tartaric acid.


m-fluoro-L-phenylalanine

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


(3R)-3-hydroxy-D-aspartic acid

A 3-hydroxy-D-aspartic acid in which the carbon bearing the hydroxy substituent has R configuration.


A carboxylic ester obtained by formal condensation of that carboxy group of {[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-4-oxochromen-7-yl]oxy}acetic acid with the hydroxy group of 7-hydroxy-4-methylchromen-2-one.


metyrapone

An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.


An enal obtained by formal dehydrogenation across positions 2 and 3 of any n-alkanal


PERILLALDEHYDE

An aldehyde that is cyclohex-1-ene-1-carbaldehyde substituted by a prop-1-en-2-yl group at position 4.


WITHALONGOLIDE D

A withanolide that is 5,6:22,26-diepoxyergost-24-ene substituted by hydroxy groups at positions 4, 19 and 27, a methoxy group at position 3 and oxo groups at positions 1 and 26. It has been isolated from the aerial parts of Physalis longifolia.


beta-D-glucosyl crocetin

A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-glucopyranose.


malic acid

A 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group.


D-glutamic acid

An optically active form of glutamic acid having D-configuration.


mycobilin a

A linear tetrapyrrole obtained by the enzymic degradation of heme by Mycobacterium tuberculosis enzyme MhuD.


D-idaric acid

The D-enantiomer of idaric acid.


omega-3 fatty acid

A family of polyunsaturated fatty acids that have in common a final carbon-carbon double bond in the omega-3 position, i.e., the third bond from the methyl end of the fatty acid.


An N(6)-acyl-L-lysine where the N(6)-acyl group is trifluoroacetyl.


saturated fatty ester C38H76O2

A fatty acid ester which is fully saturated and which contains a total of 38 carbon atoms.


desmethylanhydrotetracycline

A member of the class of tetracyclines that is anhydrotetracycline in which one of the methyl groups attached to the nitrogen has been replaced by hydrogen.


pentyl octanoate

An octanoate ester obtained by the formal condensation of carboxy group of octanoic acid with pentan-1-ol.


stemphyloxin II

A carbotricyclic compound that is betaenone A in which the butan-2-yl side-chain has been hydroxylated at position 1. A phytotoxin isolated from the endophytic fungus Stemphylium botryosum, it shows high affinity for ferric (but not ferrous) ions.


(Z)-3-aminoacrylic acid

A monocarboxylic acid comprising acrylic acid carrying a 3-amino substituent and having (Z)-stereochemistry.


A glycosyl alditol derivative consisting of 2-O-sulfo-beta-D-glucopyranuronic acid and 2,5-anhydro-D-glucitol joined in sequence by a (1->3) glycosidic bond.


licodione

A beta-diketone that is acetylacetone in which a 4-hydroxyphenyl group and a 2,4-dihydroxyphenyl group replace the two methyl groups.


JASPAMIDE E

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


name: 3-[[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester


ethyl 1-allylcyclopropanecarboxylate

A member of the class of cyclopropanes that is ethyl cyclopropanecarboxylate substituted by a prop-2-en-1-yl group at position 1.


23-HYDROXYTUBOCAPSANOLIDE A

A withanolide that is the 23-hydroxy derivative of tubocapsanolide A. Isolated from Tubocapsicum anomalum, it exhibits cytotoxic activity.


A member of the class of chalcones that is isoliquiritigenin in which one of the hydroxy groups at position 2' is replaced by a methoxy group.


SCHIZOKINEN

A hydroxamic acid resulting from the formal condensation of the primary amino group of N-(3-aminopropyl)-N-hydroxyacetamide (2 mol eq.) with the carboxy groups at positions 1 and 3 of citric acid. It is a siderophore produced by Bacillus megaterium and Anabaena species.


A macrolide antibiotic that is tylonolide having a beta-D-mycaminosyl residue attached at position 5.


3-sulfopropanoic acid

A carboxyalkanesulfonic acid that is the C-sulfo derivative of propanoic acid.


nitrogen-containing fatty acid

Any fatty acid containing nitrogen as either a substituent or a replacement for a methylene carbon.


D-buthionine-(S,R)-sulfoximine

A 2-amino-4-(S-butylsulfonimidoyl)butanoic acid which has R-configuration.


name: 2-[[[(5-chloro-2-pyridinyl)amino]-oxomethyl]amino]benzoic acid methyl ester


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


7,8-dihydroxykynurenic acid

A hydroxyquinoline that is kynurenic acid in which the hydrogens at positions 7 and 8 are replaced by hydroxy groups.


name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methylideneamino]-5-methyl-3-thiophenecarboxylic acid ethyl ester


2-hydroxydicarboxylic acid

Any dicarboxylic acid carrying a hydroxy group on the carbon atom at position alpha to the carboxy group.


vigabatrin

A gamma-amino acid having a gamma-vinyl GABA structure. It is an irreversible inhibitor of gamma-aminobutyric 664 acid transaminase


hexahomomethionine S-oxide

A sulfur-containing amino acid that is the sulfoxide obtained by formal oxygenation of the sulfur atom of hexahomomethionine.


2-hydroxy-3-methylbutyric acid

A valine derivative that is valine in which the amino group has been replaced by a hydroxy group.


N-benzoyl-4-methoxyanthranilic acid

A member of the class of benzamides that results from the formal condensation of  benzoic acid with the amino group of 4-methoxyanthranilic acid.


2-oxodecanoic acid

A 2-oxo monocarboxylic acid that is decanoic acid carrying an oxo group at position 2.


An indole alkaloid with formula C21H24N2O3. It is a biosynthetic precursor for a variety of monoterpenoid indole alkaloids.


(R)-bambuterol hydrochloride

The hydrochloride salt of (R)-bambuterol.


4-hydroxy-8-methoxyquinaldic acid

A quinolinemonocarboxylic acid that is kynurenic acid which is substituted by a methoxy group at position 8.


A 4-hydroxy monocarboxylic acid that is 4-hydroxybutanoic acid substituted at position 4 with a 5-chloro-2-[2-methyl-4-(2-methylbenzamido)benzamido]phenyl group. An hydroxybutyric acid metabolite of the vasopressin V2-receptor antagonist tolvaptan.


2,5-dichloro-4-oxohex-2-enedioic acid

An alpha,omega-dicarboxylic acid that is hexanedioic acid containing a double bond between positions 2 and 3, an oxo group at position 4, and two chlorine atoms (at positions 2 and 5).


N-acylserine 18:0

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


D-alpha-phenylglycine

The R stereoisomer of alpha-phenylglycine.


OCTYL ACETATE

The acetate ester of octan-1-ol.


cassiaoccidentalin B

A  flavone C-glycoside that is luteolin substituted by a 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-L-ribo-hexopyranos-3-ulosyll residue at position 6. It has been found in Petrorhagia velutina and Cassia occidentalis.


N,N-dihydroxy-L-tetrahomomethionine

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


ureidocarboxylic acid

Any  carboxylic acid carrying a carbamoylamino group.


3,4,5,6-tetrahydrohippuric acid

An N-acylglycine in which the acyl group is specifed as cyclohex-1-en-1-ylcarbonyl.


ethyl 2-hydroxy-3-phenylpropanoate

A carboxylic ester obtained by the formal condensation of the carboxy group of 3-hydroxy-3-phenylpropionic acid with ethanol.


hex-5-ynoic acid

A hexynoic acid in which the triple bond is between the carbons at positions 5 and 6.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-14-hydroxytetradec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


2-(2-methoxyethoxy)propanoic acid

A monocarboxylic acid that is propanoic acid substituted at C-2 by a 2-methoxyethoxy group.


orantinib

An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is substituted by a 2-(2-carboxyethyl)-3,5-dimethylpyrrol-3-yl group. It is an ATP-competitive inhibitor of the tyrosine kinase activity of fibroblast growth factor receptor 1.


name: 3-(1H-indol-3-yl)propanoic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester


A carbamoyl derivative of butyric acid which includes a 1,3-diketone functionality.


A hydroperoxydocosapentaenoic acid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17.


4-coumaric acid

A coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring.


A C18, polyunsaturated, epoxy fatty acid having double bonds at positions 9 and 11, and a (13S)-12,13-epoxy group.


name: 4,9-dideoxy-seco-PF1233 B carboxylic acid


L-lysyl ester

An alpha-amino acid ester of L-lysine.


protodeoxyviolaceinic acid

A pyrrolecarboxylic acid that is pyrrole-2-carboxylic acid which is substituted at position 3 and 5 by indol-3-yl groups.


anaerobilin

A linear tetrapyrrole obtained by degradation of heme by an enzyme isolated from Escherichia coli O157:H7.


name: 23-(6-methyl)heptanoic acid demalonylazalomycin F4a ester


naproxen

A methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction of pain, fever, inflammation  and stiffness caused by conditions such as osteoarthritis, kidney stones, rheumatoid arthritis, psoriatic arthritis, gout, ankylosing spondylitis, menstrual cramps, tendinitis, bursitis, and for the treatment of primary dysmenorrhea. It works by inhibiting both the COX-1 and COX-2 enzymes.


nitroflurbiprofen

A carboxylic ester obtained by formal condensation of the carboxy group of  flurbiprofen with the free hydroxy group of 4-(nitrooxy)butanol. It is a non-steroidal anti-inflammatory agent showing inhibitory effects against the cyclooxygenases COX1 and COX2.


(E,E)-bilirubin

A member of the class of biladienes that is an analogue of bilirubin in which the double bonds at position 4 and 15 have E-geochemistry.


melibionic acid

A disaccharide consisting alpha-D-galactosyl and D-gluconic acid residues joined by a (1->6)-linkage.


A thienopyrimidine that is thieno[3,2-d]pyrimidine which is substituted by a (carboxymethyl)sulfanediyl group at position 4 and by a 1-benzothiophen-2-yl group at position 6. It is a STK17B kinase inhibitor.


(R)-bambuterol

The (R)-enantiomer of bambuterol.


di-(N-succinimidyl) adipate

An N-hydroxysuccinimide ester formed from adipic acid.


(2xi)-D-gluco-heptonic acid

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


3-hydroxy-3-phenylpropionic acid

A 3-hydroxy carboxylic acid that is 3-phenylpropionic acid in which one of the hydrogens beta to the carboxy group is replaced by a hydroxy group.


name: 2-(4-bromophenoxy)acetic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester


5-methyl-imidazole-2-carboxylic acid

An  imidazolyl carboxylic acid that is 1H-imidazole with methyl and carboxylic acid group substituents at positions 5 and 2 respectively.


(+)-trans-chrysanthemic acid

A trans-chrysanthemic acid in which both stereocentres have R configuration.


ethyl phenylglyoxylate

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


A 4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(non-8-en-1-yl)oxetan-2-one in which the stereocentres at positions 3 and 4 have R-configuration.


(Z)-glutaconic acid

The (Z)-stereoisomer of glutaconic acid.


4,7-dioxooctanoic acid

A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions.