O-desethyl candesartan

A benzimidazolecarboxylic acid that is candesartan in which the ethoxy group has been replaced by a hydroxy group.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


N,N-dihydroxypentahomomethionine

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


tensyuic acid A

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


methyl (+)-pentacycloanammoxate

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


(Z)-tetradec-2-enoic acid

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


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


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


exochelin 772SM

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


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


phenylacetic acids

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


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


N(alpha)-acetyl-L-arginine

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


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


reedsmycin D

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


locoracemoside B

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


decyl palmitate

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


alpha-phenylglycine

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


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

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


ethinamate

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


VISCOSALACTONE B

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


N-acetyl-L-amino acid

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


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


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


erdasporine B

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


tetrahydro-4-hydroxyphenylpyruvic acid

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


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


A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the alpha-, 3- and 4-positions. It is a metabolite of noradrenaline.


d,l-threo-3-HYDROXYASPARTIC ACID

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


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


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


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


methyl-branched fatty acid

Any branched-chain fatty acid containing methyl branches only.


fatty acid 4:0

Any saturated fatty acid containing 4 carbons.


ethyl hydroxy(phenyl)acetate

The ethyl ester of mandelic acid.


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


5-amino-2-oxopentanoic acid

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


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


heptenedioic acid

A dicarboxylic acid that is heptene carrying two carboxy groups.


amino acid ester

Any  carboxylic ester derivative of an amino acid.


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


(13Z)-octadecenoic acid

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


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

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


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


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

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


N-acetyl-L-isoleucine

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


urocanic acid

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


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


SINAPINATE

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


5-methoxyindole-3-acetic acid

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


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


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


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


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


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


cinnamic acids

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


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


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


PHYSALIN F

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


cis-hex-3-enoic acid

A 3-hexenoic acid having the cis configuration.


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

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


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


non-proteinogenic L-alpha-amino acid

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


tolualdehyde

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


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


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


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


(+)-jasplakinolide V

A  cyclodepsipeptide isolated from Jaspis splendens.


A trisaccharide consisting of D-glucuronic acid, alpha-D-xylosyl and D-glucuronic acid residues joined in sequence by (1->3)-linkages. A repeating unit in glycoprotein DAG1


2,3-dimethylbenzoic acid

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


tridecanedioic acid

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


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


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

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


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

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


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


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


22-oxodocosanoic acid

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


citraconic acid

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


butyl benzoate

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


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


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


pentanone

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


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


N,N-dihydroxy-L-valine

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


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


A 3-aminoalanine that has  R configuration.


3-amino-3-phenylpropanoic acid

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


methyl-branched fatty acid 17:0

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


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


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


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


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


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


A hexadecenal that carries a double bond at position 2.


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


decyl oleate

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


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


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


N-succinyl-L-glutamic 5-semialdehyde

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


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


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


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


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


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


cis-2-oxohept-3-enedioic acid

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


GLYCYROL

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


ortho-vanillin

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


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

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


3-phenyllactic acid

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


isoamyl acetate

The acetate ester of isoamylol.


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


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


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


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


(+)-vernolic acid

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


2-amino-5-phosphonopentanoic acid

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


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


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


methyl cyclohexanecarboxylate

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


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

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


hematoporphyrin

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


ZHANKUIC ACID B

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


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


methyl nonadecanoate

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


16-sinapoyloxypalmitic acid

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


N-(trifluoroacetyl)glycine

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


DL-PENICILLAMINE

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


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


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


fatty acid 12:0

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


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


BENZOIC ACID OCTYL ESTER

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


LL-2,6-diaminopimelic acid

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


name: 3-Aminomethylbenzoic acid methyl ester hydrochloride


syringyl alcohol diacetate

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


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


COLESTOLONE

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


polyoxyl 40 stearate

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


ZEAENOL

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


cephalanone F

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


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

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


cyclopropenyl fatty acid

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


methyl 2-(4-hydroxyphenyl)acetate

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


tuberculostearic acid

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


2,3,4-saturated fatty acid

Any fatty acid in which the first three carbons of the chain atttached to the carboxy group are saturated and unbranched.


caffeic acid

A hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more common.


An acetate ester resulting from the formal condensation of the hydroxy group of 15alpha-stemmadenine with the carboxy group of acetic acid.


An EpDPE obtained by formal epoxidation of the 16,17-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.


poly(methacrylic acid) macromolecule

An acrylic macromolecule, composed of repeating 2-methylpropanoic acid units.


A  diarylheptanoid that is 1,4,6-heptatrien-3-one substituted by 4-hydroxypheny group at positions 1 and 7 respectively. It has been isolated from the rhizomes of Curcuma domestica and Etlingera elatior.


6-formamidopenicillanic acid

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


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


name: 4-[[(4-hydroxy-1-piperidinyl)-sulfanylidenemethyl]amino]benzoic acid ethyl ester


serine

An alpha-amino acid that is alanine substituted at position 3 by a hydroxy group.


name: 2,4-Hexadienoic acid, potassium salt (1:1), (2E,4E)-


A glycosylglucopyranuronic acid consisting of beta-D-xylopyranose and D-glucopyranuronic acid joined in sequence by a (1->4) glycosidic bond.


(-)-ureidoglycolic acid

The (-)-enantiomer of ureidoglycolic acid.


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


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


flavaspidic acid PB

A polyphenol that is a phloroglucinol derivative isolated from the rhizomes of Dryopteris crassirhizoma and has been shown to exhibit radical scavenging and antibacterial activity.


A cholestanoid resulting from the oxidation of (25R)-3beta,26-dihydroxycholest-5-en-7-one to the corresponding carboxylic acid.


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


A carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs).


name: 3-(3,4-dihydroxyphenyl)-2-propenoic acid 2-phenylethyl ester


name: 4-hydroxybenzoic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester


coniferyl ester

Any carboxylic ester resulting from the formal condensation of the allylic hydroxy group of coniferol with a carboxylic acid.


triketone

A compound that contains three ketone functionalities.


A cholesterol ester in which the acyl group contains 22 carbons in total and 4 double bonds.


METHYL VANILLATE

A benzoate ester that is the methyl ester of  vanillic acid.


A macrolide that is 10-deoxymethymycin with the ethyl group at position 12 replaced with an acetonyl group. It is a natural product synthesized by Streptomyces sp. AM4900 with weak cytotoxicity against SKOV-3 and Jurkat cells.


2-fluorobenzoic acid

A 2-halobenzoic acid that is benzoic acid carrying a fluoro substituent at position 2.


enol-oxaloacetic acid

A dicarboxylic acid that is butenedioic acid in which the hydrogen at the 2-position is substituted by a hydroxy group.


D-asparagine

An optically active form of asparagine having D-configuration.


A guaiacyl lignin that is ferulic acid in which the phenolic hydrogen is replaced by a sulfoguaiacylglycerol group. It is found in Arabidopsis thaliana.


10-hydroperoxy-8E-octadecenoic acid

A hydroperoxy fatty acid that is 10-hydroperoxy derivative of (8E)-octadecenoic acid.


name: 2-acetamido-3-(1H-indol-3-yl)propanoic acid [3,5-bis(trifluoromethyl)phenyl]methyl ester


cyclopropanecarboxylate ester

A carboxylic ester resulting from the formal condensation of the hydroxy group of an alcohol or phenol with the carboxy group of cyclopropanecarboxylic acid or its substituted derivatives.


difluoroacetic acid

A monocarboxylic acid that is acetic acid in which two of the methyl hydrogens are substituted by fluorines.


methyl-L-glutamic acid

A non-proteinogenic L-alpha-amino acid that is L-glutamic acid substituted with a methyl group.


benzimidazolecarboxylic acid

A member of the class of  benzimidazoles carrying a carboxy group at unspecified position.


name: 3-(2,4-dimethoxyphenyl)-2-propenoic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester


2-phenylethyl pivalate

A pivalate ester of  2-phenylethanol.


(3E)-ethyl 2-methyl-3-pentenoate

An ethyl 2-methyl-3-pentenoate in which the double bond adopts a trans-configuration.


narbomycin

A macrolide antibiotic that is narbonolide having a 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residue attached at position 6. It is biosynthesised by Streptomyces venezuelae.


A deoxygluconolactone with the hydroxy group at position 2 replaced by hydrogen.


FLUVASTATIN

A dihydroxy monocarboxylic acid that is N-isopropylindole which is substituted at position 3 by a p-fluorophenyl group and at position 2 by a 6-carboxy-3,5-dihydroxyhex-1-en-1-yl group. It has four possible diastereoisomers.


2-methylacetoacetic acid

A 3-oxo monocarboxylic acid that is acetoacetic acid which is substituted at position 2 by a methyl group.


(benzyloxy)acetic acid

A monocarboxylic acid that is benzyl alcohol in which the hydroxy group is replaced by a carboxymethoxy group.


2-(omega-methylthio)alkylmaleic acid

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


tosylmalonate ester

A malonate ester containing a tosylate (toluene-p-sulfonate) group.


N-acetyl-L-2-aminoadipic acid

An N-acetyl-L-amino acid consisting of L-2-aminoadipic acid carrying an N-acetyl substituent.


dihydrourocanic acid

A monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 has been replaced by an imidazol-4-yl group.


isofetamid

An aromatic amide obtained by formal condensation of the carboxy group of 3-methylthiophene-2-carboxylic acid with the amino group of 2-amino-1-(4-isopropoxy-2-methylphenyl)-2-methylpropan-1-one.


pyranopyranone

A pyranopyran in which at least one of the pyran rings in the pyranopyran skeleton is substituted by an oxo group.


dibromotyrosine

A bromoamino acid that is L-tyrosine carrying bromo- substituents at positions C-3 and C-5 of the benzyl group.


A lipid hydroperoxide, obtained by the formal substitution of a hydrogen at position 9 of (10E,12Z,15Z)-octadeca-10,12,15-trienoic acid by a hydroperoxy group.


Major microspecies at pH 7.3.


(11S)-11-hydroperoxylinoleic acid

The 11-hydroperoxy derivative of linoleic acid having (S)-configuration.


daptomycin

A polypeptide comprising N-decanoyltryptophan, asparagine, aspartic acid, threonine, glycine, ornithine, aspartic acid, D-alanine, aspartic acid, glycine, D-serine, threo-3-methylglutamic acid and 3-anthraniloylalanine (also known as kynurinine) coupled in sequence and lactonised by condensation of the carboxylic acid group of the 3-anthraniloylalanine  with the alcohol group of the threonine residue.


An EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).


4,5-dioxopentanoic acid

A dioxo monocarboxylic acid consisting of a valeric acid core with the two oxo groups at the 4- and 5-positions.


N-isovaleryl-L-alanine

An N-acyl-L-alanine resulting from the formal condensation of carboxy group of isovaleric acid with the amino group of L-alanine.


N-acetylanthranilic acid

An amidobenzoic acid consisting of anthranilic acid carrying an N-acetyl group.


2-oxopentanoic acid

An oxopentanoic acid carrying an oxo group at position 2.


5-guanidino-2-oxopentanoic acid

A 2-oxo monocarboxylic acid that is 2-oxopentanoic acid in which one of the methyl hydrogens is substituted by a carbamimidamido group.


2-methylene-3-methylsuccinic acid

A  dicarboxylic acid that is succinic acid substituted by a methylene group at position 2 and a methyl group at position 3.


azoxybacilin

A non-proteinogenic alpha-amino acid that is (2S)-2-aminobutanoic acid substituted by a (Z)-methyl-NNO-azoxy moiety at position 4. It is an antibiotic isolated from the culture broth of Bacillus cereus and exhibits antifungal activity.


A dimethoxybenzene that is benzaldehyde substituted by methoxy groups at positions 3 and 4. It is found in peppermint, ginger, raspberry, and other fruits.


CAMINOSIDES A

A glycolipid with an unusual non-glycerol aglycone, 10-hydroxynonadecan-2-one that is glycosylated at the C10 hydroxy group by a branched tetrasaccharide residue. It is isolated from the marine sponge Caminus sphaeroconia and exhibits potent activity as an inhibitor of a type III bacterial secretory system.


An epoxide that is oxiran-2-ylmethanol which is acylated at position 2 by N-butanoyl-L-seryl-4-methylidenenorvalinyl group. It is a proteasome inhibitor isolated from Streptomyces.


A 3-hydroxy carboxylic acid that is (3R,5R)-3,5-dihydroxyheptanoic acid in which one of the methyl hydrogens is substituted by a (1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl group.


cinnamaldehydes

An  enal based on a cinnamaldehyde skeleton and its substituted derivatives.


surugapyrrole B

A pyrrolecarboxamide obtained by the formal condensation of 1-hydroxy-1H-pyrrole-2-carboxylic acid with the amino group of 3-aminopropanoic acid. It is isolated from the culture broth of Streptomyces sp.USF-6280 and exhibits DPPH radical scavenging activity.


A tripartite compound comprising an alpha-D-Gal unit linked to beta-D-GlcNAc, which is in turn linked to a CETE (2-[(2-carbomethoxyethylthio)]ethyl; 2-{[2-(methoxycarbonyl)ethylsulfanyl]}ethyl) moiety.


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


2-naphthyl octanoate

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


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


(R)-3-(acetylthio)isobutyric acid

A monocarboxylic acid that is isobutyric acid in which a hydrogen of one of the methyl groups has been replaced by an acetylthio group (the R enantiomer). It is an important intermediate for the preparation of various angiotensin-converting enzyme inhibitors such as captopril and alacepril.


A dihydroxybenzaldehyde that is 2,4-dihydroxybenzaldehyde in which the hydrogens at positions 3, 5, and 6 have been replaced by methyl, methyl, and ethyl groups, respectively.


maleate ester

Compounds of the general formula ROOC-CH=CH-COOR' where R and R' are organyl groups


A hydroxytryptophan substituted by a hydroxy group at position 7 on the indole ring.


fatty aldehyde

An aldehyde formally arising from reduction of the carboxylic acid group of its corresponding fatty acid, having a carbonyl group at one end of the carbon chain.


(R)-vedaprofen

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


A glycine derivative that is L-alpha-phenylglycine substituted at positions 3 and 5 on the phenyl ring by hydroxy groups.


An N-acetyl-alpha-neuraminyl-(2->6)-N-acetyl-D-galactosamine in which the carbon bearing the anomeric hydroxy group has alpha configuration.


TERNSTROSIDE E

A beta-D-glucoside with 2-(4-hydroxyphenyl)ethoxy residue at the anomeric position and a [(3,4-dihydroxyphenyl)acetyl]oxy residue at position 6. Isolated from Ternstroemia japonica, it exhibits antioxidant activity.


An anthocyanin cation consisting of cyanidin having a 6-O-acetyl-beta-D-glucosyl residue attached at the 3-hydroxy position.


sennosides

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


JERANTININE F

An indole alkaloid isolated from Tabernaemontana corymbosa, and has been shown to exhibit cytotoxicity against human KB cells.


3,4-dihydroxyphenylpyruvic acid

A 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 3,4-dihydroxyphenyl group.


The 2(1),2(2),17-trimethyl ester of (2S,2(1)R)-2(1),2(2)-dicarboxy-8-ethenyl-2,7,12,18-tetramethyl-2,2(1)-dihydrobenzo[b]porphyrin-13,17-dipropanoic acid.


ethyl 3-hydroxyhexanoate

A fatty acid ester that is the ethyl ester of 3-hydroxyhexanoic acid.


name: 3-(3,4-dimethoxyphenyl)-2-propenoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester


methyl 1-methyl-5-oxo-L-prolinate

An alpha-amino acid ester that is the methyl ester of 1-methyl-5-oxo-L-proline.


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


A phenylalanine derivative that is phenylalanine carrying a hydroxy substituent at position 2 on the benzene ring.


3-hydroxysuberic acid

A dicarboxylic acid that is suberic acid substituted at position 3 by a hydroxy group.


dihydrochalcones

Any ketone that is 1,3-diphenylpropanone and its derivatives obtained by substitution.


BRUCEOLLINE M

An indole alkaloid that is 1H-indole substituted by a 3-hydroxy-3-methyl-2-oxobutyl group at position 3 and a beta-D-glucopyranosyl group attached to the indolic nitrogen. It has been isolated from the ethanol extract of the stems of Brucea mollis.


(E)-2-(trifluoromethyl)cinnamic acid

A member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the ortho-position.


A purine derivative that consists of glycine having a purin-6-oyl group attached to the amino function via an amide bond.


2-phenylethyl formate

A formate ester of 2-phenylethanol.


N-[(S)-lactoyl]-L-phenylalanine

A L-phenylalanine derivative that is L-phenylalanine in which the amino group is replaced by a [(2S)-2-hydroxypropanoyl]amino group. It is a metabolite produced as a result of exercise in mice, racehorses, and humans which suppresses feeding and obesity.


vernolic acid

A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.


(S)-triadimefon

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


alpha-amino acid ester

The amino acid ester derivative obtained the formal condensation of an alpha-amino acid with an alcohol.


albibrissinoside A

A disaccharide derivative isolated from the stems of Albizia julibrissin that exhibits antioxidant activity.


CANDIDACHALCONE

A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a 3-hydroxy-3-methylbut-1-en-1-yl group at position 3'. It has been isolated from the aerial parts of Tephrosia candida.


CICLOXILIC ACID

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


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


A carbotricyclic compound that is funalenone in which the methoxy group at position 2 has been demethylated to the corresponding hydroxy derivative.


name: 3,4-diethoxybenzoic acid [2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl] ester


An aromatic ketone that is propiophenone substituted by acetoxy groups at positions 1 and 2 and methoxy groups at positions 3' and 4' respectively.


A carboxylic ester that results from the formal condensation between caprylic acid and the hydroxy group at position 6 of the glucosyl residue of sucrose.


naphthaldehydes

An  arenecarbaldehyde that is a mono or poly-substituted naphthalene in which at least one of the substituents is a formyl group.


A ketone that is heptan-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a phenyl group at position 7. Isolated from in Alpinia oxyphylla, it exhibits antineoplastic and inhibitory activities against COX-1, COX-2 and NO synthase.


name: 3-methyl-4-nitrobenzoic acid [[amino(pyridin-4-yl)methylidene]amino] ester


A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from 5-hydroxypentanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.


gingerenone B

A diarylheptanoid that is (4E)-hept-4-en-3-one substituted by a 4-hydroxy-3-methoxyphenyl group at position 1 and a 4-hydroxy-3,5-dimethoxyphenyl group at position 7. It has been isolated from the rhizomes of Zingiber officinale.


4-O-sinapoylquinic acid

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


3'-deoxysappanone B

A  homoisoflavonoid that is 2,3-dihydro-4H-1-benzopyran-4-one substituted by hydroxy groups at positions 3 and 7 and a (4-hydroxyphenyl)methyl group at position 3 respectively (the 3R-stereoisomer). It has been isolated from Caesalpinia sappan.


name: 3-methylbenzoic acid [4-[[[(2-hydroxyphenyl)-oxomethyl]hydrazinylidene]methyl]phenyl] ester


pacific blue

A hydroxycoumarin having the hydroxy group located at position 7 and bearing two fluoro substituents at positions 6 and 8 as well as a carboxy group at position 3. A fluorescent dye of excitation wavelength 403 nm and emission wavelength 455 nm.


A lysine derivative having a 2,4-dinitrophenyl substituent at the N(6)-position.


name: 2-(1-benzimidazolyl)acetic acid [2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester


2-oxooctadecanoic acid

A 2-oxo monocarboxylic acid that is octadecanoic acid (stearic acid) in which the hydrogens at position 2 have been replaced by an oxo group.


Phenylacetylglycine hydroxylated at the phenyl C-4 position.


A beta-diketone and nitrile resulting from the the degradation of the isoxazole ring of isoxaflutole. The active herbicide of the proherbicide isoxaflutole.


benalaxyl-M

A methyl N-(2,6-dimethylphenyl)-N-(phenylacetyl)alaninate that is the more active R-enantiomer of benalaxyl.


name: 2-(3-phenyl-1-indazolyl)acetic acid methyl ester


ethyl (2Z)-but-2-enoate

A but-2-enoate ester  obtained by the formal condensation of isocrotonic acid with ethanol.


An indolyl carboxylate ester that is 1H-indole substituted by methoxycarbonyl and (E)-(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)diazenyl groups at positions 2 and 3, respectively. It targets the enoyl reductase domain of fungal fatty acid synthase, exhibits broad-spectrum antifungal activity, is bioactive against the filamentous mold, Aspergillus fumigatus and has minimal mammalian cytotoxicity.


(R)-warfarin

A 4-hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one that has (R)-configuration (the racemate is warfarin, an anticoagulant drug and rodenticide).


The N-(3-acetamidopropyl)-derivative of 4-aminobutanal.


A dialkyl ketone that is heptane in which the two methylene protons at position 4 have been replaced by an oxo group.


A non-proteinogenic L-alpha-amino acid that is L-phenylalanine in which the phenyl ring is methylated at positions 2, 4 and 6.


bufadienolides

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


SITOSTERYL ACETATE

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


A 4-O-[(E)-2-methyl-2-butenoyl]ascaroside derived from (8R)-8-hydroxynonanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.


BENZOIC ACID VINYL ESTER

An  enoate ester obtained by the formal condensation of the carboxy group of benzoic acid with ethenol. Metabolite observed in cancer metabolism.


6-aminopenicillanic acid

A penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the semisynthetic penicillins, resulting in a variety of antibacterial and pharmacologic characteristics.


An alanine derivative that is alanine substituted by a naphthalen-2-yl group at position 3.


cyclobutyrol

A hydroxy monocarboxylic acid in which the hydroxy group is geminal to a 1-carboxypropyl group on a cyclohexane ring.


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


2,2-dimethylglutaric acid

An alpha,omega-dicarboxylic acid that is pentanedioic acid with two methyl groups substituted at position C-2.


name: 2-[[3-(5-methyl-2-furanyl)-1-oxopropyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester


N-benzoyl-4-hydroxyanthranilic acid

The N-benzoyl-4-hydroxy derivative of anthranilic acid.


3-methylthiopropyl acetate

An acetate ester obtained by the formal condensation of the hydroxy group of 3-(methylsulfanyl)propan-1-ol with acetic acid.


PESCAPREIN XXX

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


name: 3-phenyl-2-propenoic acid 8-quinolinyl ester


deacetylisoipecoside

Isoipecoside in which the acetyl group attaced to the nitrogen is replaced by hydrogen.


macrotriolide

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


A trihydroxyflavone that is the 6'''-O-feruloyl derivative of isovitexin 2''-O-arabinoside.


emericellamide F

An emericellamide derived from N-[(3S,4S)-3-hydroxy-4-methyldodecanoyl]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.


name: 3-hydroxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester


cardiac glycoside

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


name: 2-nitrobenzoic acid [1,1,1,3,3,3-hexafluoro-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]propan-2-yl] ester


O-methyl-L-threonine

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


N-methyl-L-asparagine

An L-asparagine derivative comprising L-asparagine carrying one or more N-methyl substituents.


(2R,5S)-2,5-diaminohexanoic acid

A diamino acid that is hexanoic acid carrying two amino substituents at positions 2 and 5 (the 2R,5S-diastereomer).


N-acetylcitrulline

An N-acetyl-amino acid that is the N(alpha)-acetyl derivative of citrulline.


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


2-amino-2-hydroxybutanoic acid

An  alpha-amino acid that is butanoic acid substituted by an amino and a hydroxy group at position 2.


carboxylic ester

An ester of a carboxylic acid, R(1)C(=O)OR(2), where R(1) = H or organyl and R(2) = organyl.


imidazolyl carboxylic acid

Any member of the class of imidazoles in which the imidazole ring is substituted by one (or more) carboxy group(s).


NICOTINURIC ACID

An N-acylglycine having nicotinoyl as the acyl substituent.


name: 5-phenyl-2-(1,1,1-trifluoro-3-methoxy-3-oxopropan-2-ylidene)-1,3-oxathiole-4-carboxylic acid ethyl ester


An N-acyl-L-alpha-amino acid resulting from the formal condensation of the carboxy group of 4-(indol-3-yl)butanoic acid with the amino group of L-cysteine.


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 S-configuration.


A ketocholestane that is cholestane which carries an oxo group at position 3.


A thioester formed by condensation of (2S,3R)-3-hydroxy-2-methylpentanoic acid with N-(2-sulfanylethyl)acetamide.


galactonic acid

A hexonic acid that has been found to increase in red blood cells of galactosemic patients.


alkyl cyanoacetate ester

An ester of cyanoacetic acid with the general formula N#C-CR(1)R(2)-C(=O)OR(3) where R(3) is an alkyl group.


3-[4-(sulfooxy)phenyl]propanoic acid

An aryl sulfate that is phenyl hydrogen sulfate substituted by a 2-carboxyethyl group at position 4. It is a human xenobiotic metabolite found in human plasma and urine after thyme consumption.


2-hydroxyhepta-2,4-dienedioic acid

A dicarboxylic acid that is 2-hydroxyhepta-2,4-diene in which the two terminal methyl groups are replaced by carboxy groups (the 2Z,4E-geoisomer).


indoleacetic acid ester conjugate

A conjugate of indole-3-acetic acid with sugars or polyols via an oxygen bridge.


A steroid glycoside that is 3,8,12,14,17-pentahydroxypregn-5-en-20-one esterified at position 12 by (2E)-3,4-dimethylpent-2-enoic acid and glycosylated at the 3beta-hydroxy group by beta-cymaropyranose (the 3beta,12beta,14beta,17alpha stereoisomer). It is isolated from the roots of Cynanchum auriculatum and displays antineoplastic activity.


(2S)-hydroperoxy fatty acid

Any 2-hydroperoxy fatty acid which has S configuration at the carbon bearing the hydroperoxy group.


name: 2-acetamido-2-(hydroxymethyl)propanedioic acid diethyl ester


ISOCITRATE

A tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group.


name: 4-(1-imidazolyl)-3,5-dinitrobenzoic acid methyl ester


2-caffeoylisocitric acid

The 2-caffeoyl derivative of isocitric acid.


CADAVERINE TARTRATE

A tetraric acid that is butanedioic acid substituted by hydroxy groups at positions 2 and 3.


An oxo carboxylic acid that is propanal substituted by a carboxyethoxy group at position 2.


chlorendic acid

A bridged organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with maleic anhydride followed by hydrolysis of the resulting anhydride. A chemical intermediate used in the preparation of fire-retardant polyester resins and plasticisers.


D-norleucine

The D-enantiomer of 2-aminohexanoic acid.


D-galactonic acid

A galactonic acid compound having D-configuration.


name: 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester


name: N-phenylcarbamic acid 2-phenoxyethyl ester


name: 3-pyridinecarboxylic acid [4-[heptoxy(oxo)methyl]phenyl] ester


IMIDAZOLE ACETIC ACID

A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by an imidazol-4-yl group.


A member of the class of benzaldehydes in which the hydrogen at position 3 of benzaldehyde has been replaced by a methoxy group.


name: 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetic acid (phenylmethyl) ester


3-hexenyl isovalerate

A fatty acid ester resulting from the formal condensation of the carboxy group of isovaleric acid with the hydroxy group of hex-3-en-1-ol.


An L-ornithine substituted at position 3 by a hydroxy group (the 3S-erythro-stereoisomer).


quinoline yellow

A quinoline derivative with a 1,3-dioxoindan-2-yl substituent at C-2.


DEALKYLATED DIETHYLPROPION

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


propionylglycine

A N-acylglycine obtained by formal condensation of the carboxy group of propionic acid with the amino group of glycine.


methyl isobutyrate

The fatty acid methyl ester of isobutyric acid.


(S)-meptyldinocap

A 2,4-dinitro-6-(octan-2-yl)phenyl (E)-but-2-enoate that is the (S)-enantiomer of meptyldinocap.


benazolin

A member of the class of benzothiazoles that is 4-chloro-1,3-benzothiazol-2(3H)-one which is substituted on the nitrogen by a carboxymethyl group and at position 4 by chlorine. A post-emergence herbicide used (generally as a salt or ester) for the control of annual weeds in wheat and oilseed rape. It is not approved for use with the European Union.


N-carbamoyl-D-phenylglycine

A member of the class of ureas that is N-carbamoylglycine in which the pro-R hydrogen has been replaced by a phenyl group.


name: 4-acetamidobenzoic acid (2-chlorophenyl)methyl ester


ACETYLTRYPTOPHAN

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


succinic acid-d4

A deuterated compound that is succinic acid in which the four methylene hydrogens are replaced by deuterium.


steroid aldehyde

Any steroid substituted by a formyl group.


(2Z,4Z)-2-hydroxyhexa-2,4-dienoic acid

A monocarboxylic acid that is (2Z,4E)-hexa-2,4-dienoic acid in which the hydrogen at position 2 is replaced by a hydroxy group.


2-formylglutaric acid

The 2-formyl derivative of glutaric acid.


1,4-dihydroxy-6-naphthoic acid

A naphthalenediol that is naphthalene-1,4-diol bering a carboxy substituent at position 6.


Aloe C-glucosylchromone

A C-glycosyl compound consisting of 2-[(2R)-2-hydroxypropyl]-7-methoxy-5-methyl-4H-chromen-4-one substituted by a beta-D-[2-O-(E)-cinnamoyl]glucopyranosyl residue at position 8 via a C-glycosidic linkage. It is isolated from the leaves of Aloe barbadensis and exhibits anti-inflammatory activity.


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

description: A carboxylic ester resulting from the condensation of the carboxylic acid group of (+)-abscisic acid with the anomeric hydroxy group of  D-glucopyranose.


N-acetyl-D-amino acid

An N-acetyl-amino acid having D-configuration.


A member of the class of  dihydrochalcones that is the 2'-O-methyl derivative of odoratol.


FOSFONET

A member of the class of phosphonic acids that is phosphonic acid in which the hydrogen attached to the phosphorous is replaced by a carboxymethyl group.


name: 2-(benzenesulfonamido)acetic acid [2-(4-nitrophenyl)-2-oxoethyl] ester


benzylpenillamine

A monocarboxylic acid that is D-penicillamine in which the amino group has been replaced by a consisting 2-benzyl-1H-imidazol-1-yl moiety.


fatty acid 26:0

A saturated fatty acid containing 26 carbons and 0 double bonds.


name: 4-acetyloxy-3-methoxybenzoic acid (4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl) ester


an alpha-mycolic acid

A class of mycolic acids characterized by the presence of two cis cyclopropyl groups in the meromycolic chain.


A member of the class of benzophenones that is benzophenone substituted by a geranyl group at position 3 and hydroxy groups at positions 2, 4 and 6 respectively. Isolated from   Leontonyx and Garcinia vieillardii, it exhibits a significant antileishmanial activity.


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


hawkinsin

A cysteine derivative that is cysteine in which the thiol group is substituted by a [2-(carboxymethyl)-2,5-dihydroxycyclohex-3-en-1-yl]sulfanediyl group. Hawkinsinuria is an inherited disorder which is characterized by the inability to break down the amino acid tyrosine. This results in the finding of certain metabolites in the urine, such as hawkinsin.


ketene

Carbonyl compounds where the C=O bond is conjugated to an alkylidene group.


ynoate ester

An alpha,beta-unsaturated carboxylic ester of general formula R(1)C#C-C(=O)OR(2) (R(2) =/= H) in which the ester C=O function is conjugated to a C#C triple bond at the alpha,beta position.


A 5,6,7,8-tetrahydropterin having a carboxy group at the 6-position.


CARBAPENEM

A carbapenemcarboxylic acid that is the 3-carboxy derivative of 2,3-didehydro-1-carbapenam.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of (2E)-10-hydroxydec-2-enoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


trilobatin

An aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 4' via a glycosidic linkage. It is isolated from the leaves of the Chinese sweet tea Lithocarpus polystachyus and exhibits significant anti-hyperglycemic, anti-oxidative and anti-inflammatory properties.


An L-lysine derivative comprising L-lysine having two methyl substituents attached to the side-chain amino group.


A monounsaturated fatty aldehyde that is (2E)-hept-2-ene which is carrying an oxo group at position 1. Found in the peel of Malaysian pink and white pomelo peel and in the scent gland secretion of the rice stink bug Oebalus pugnax.


CATIGUANIN A

An organic heterotetracyclic compound that is 3,4-dihydro-2H,12H-pyrano[2,3-a]xanthene substituted by a 3,4-dihydroxyphenyl group at position 2, hydroxy groups at positions 3, 5, 9 and 10 and a 2-methoxy-2-oxoethyl group at position 12 (the 2R,3R,12R stereoisomer). It is isolated from the  barks of Trichilia catigua and exhibits antioxidant activity.


phenethyl butyrate

The butanoate ester of 2-phenylethanol.


BERYTHROMYCIN

An erythromycin that consists of erythronolide B having 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.


15-oxo steroid

Any oxo steroid where the oxo group is located at the 15-position.


5-p-coumaroylquinic acid

A cinnamate ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the 5-hydroxy group of (-)-quinic acid.


O-oleoylanandamide

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


name: 5-[[[(5-tert-butyl-2-methyl-3-furanyl)-oxomethyl]amino]methyl]-2-furancarboxylic acid ethyl ester


6-acetamido-2-oxohexanoic acid

A member of the class of  acetamides that is the acetyl derivative of 6-amino-2-oxohexanoic acid.


OxoEDE

An oxo fatty acid that is obtained by oxidation of the allylic hydroxy of any  hydroxyeicosadienoic acid during its metabolism.


2-aminopimelic acid

An amino dicarboxylic acid that is heptanedioic acid in which a hydrogen at position 2 is replaced by an amino group. It is a component of the cell wall peptidoglycan of bacteria.


An O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 3,4-dihydroxybenzoyl group.


macrodiolide

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


(-)-mitorubrin

The (7R)-enantiomer of mitorubrin.


propachlor OXA

A monocarboxylic acid that is oxoacetic acid substituted by a phenyl(propan-2-yl)amino group at position 2. It is a metabolite of the herbicide propachlor.


name: 2-(1-adamantyl)acetic acid 2-[3-[2-(4-bromophenyl)-2-oxoethyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester


mycinamicin

Name for a family of macrolide antibiotics with more than twenty members produced by the rare actinomycete Micromonospora griseorubida.


A (6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid diastereoisomer in which both chiral centres have S configuration.


octadecenoic acid

Any member of the group of C18 monounsaturated fatty acids with the double bond located at any position in the chain.


cellulose acetate

A glucan derivative obtained through the esterification of cellulose by acetic anhydride or acetic acid, resulting in the substitution of some of the hydroxy groups of cellulose by acetyl groups. It is used in a variety of applications including base material for photographic film, clothing, membrane filters, coatings, food packaging, and as a frame material for eyeglasses.


name: 4-methylbenzoic acid [6-[[[5-[[cyclopropyl(oxo)methyl]amino]-1,3,4-thiadiazol-2-yl]thio]methyl]-4-oxo-3-pyranyl] ester


retinyl palmitate

A palmitate ester of retinol with undefined geometry about the C=C bonds.


leucomycin V

A macrolide antibiotic produced by Streptomyces kitasatoensis, showing activity against a wide spectrum of pathogens.


A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.


name: 3-amino-5-phenyl-2-thiophenecarboxylic acid ethyl ester


(carboxymethoxy)succinic acid

The carboxymethoxy derivative of succinic acid.


N-arachidonyl-γ-aminobutyric acid

An N-acyl-gamma-aminobutyric acid resulting from the formal condensation of the amino group of gamma-aminobutyric acid with the carboxy group of arachidonic acid.


arenecarbaldehyde

Any aldehyde in which the carbonyl group is attached to an aromatic moiety.


name: 2-[[[3-(2,5-dioxo-1-pyrrolidinyl)phenyl]-oxomethyl]amino]-4-(4-phenylphenyl)-3-thiophenecarboxylic acid ethyl ester


An oligosaccharide sulfate consisting of 2-deoxy-2-(sulfoamino)-alpha-D-glucopyranose and 2-O-sulfo-alpha-L-idopyranuronic acid joined in sequence by a (1->4) glycosidic bond.


N-acetyltyrosine

An N-acetyl-amino acid that is tyrosine with an amine hydrogen substituted by an acetyl group.


An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the Z isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death.


A methyl ketone that is butan-2-one substituted by an ethoxy group at position 3.


4-hydroxy cinnamyl alcohol diacetate

An acetate ester that is a diester obtained by the formal condensation of the two hydroxy groups of trans-p-coumaryl alcohol with two molecules of acetic acid respectively.


CHAETOMUGILIN D

An azaphilone isolated from Chaetomium globosum and has been shown to exhibit inhibitory activity against the brine shrimp (Artemia salina) and Mucor miehei.


apratoxin E

An aprotoxin having the common aprotoxin cyclodepsipeptide skeleton with a double bond in the polyketide unit. It is isolated from Lyngbya bouillonii and exhibits cytotoxic activity against several cancer cell lines derived from colon, cervix, and bone.


2-hydroxy-6-oxonona-2,4-dienoic acid

An alpha,beta-unsaturated monocarboxylic acid that is nona-2,4-dienoic acid carrying hydroxy and oxo substituents at positions 2 and 6 respectively.


name: 2-[(4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-pyridinecarboxylic acid propan-2-yl ester


An L-glutamic acid derivative obtained by replacement of one of the amino hydrogens of L-glutamic acid has been replaced by a (2S)-2-amino-2-carboxyethyl group.


cis-4-coumaric acid

The cis-form of 4-coumaric acid.


A member if the class of  chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively.


A trans-2,3-unsaturated fatty aldehyde that is (E)-dodec-2-ene in which the allylic methyl group has been oxidised to the corresponding aldehyde.


A serine derivative in which L-serine is substituted on oxygen by a pantetheine 4'-phosphate group.


name: 1,2-Cyclohexanedicarboxylic acid, nonyl 4-octyl ester


pyrrole-2,5-dicarboxylic acid

A pyrroledicarboxylic acid in which the two carboxy groups are located at positions 2 and 5.


A 2-oxo monocarboxylic acid that results from the formal aldol condensation of the methyl group of pyruvic acid with the aldehyde group of 2-hydroxy-4-(hydroxymethyl)benzaldehyde.


florosenine

A pyrrolizine alkaloid that is otosenine in which the hydroxy hydrogen has been replaced by an acetyl group.


caffeic acid 3-sulfate

An aryl sulfate that is trans-caffeic acid in which the phenolic hydrogen at position 3 is replaced by a sulfo group. A metabolite from coffee.


UK 63598

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


carboxyibuprofen

A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.


2-(alpha-D-mannosyl)-D-glyceric acid

A D-mannosyl-D-glyceric acid where an alpha-D-mannosyl residue is attached at the 2-position.


arachidyl oleate

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


An O-acyl carbohydrate that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen has been replaced by a 4-hydroxybenzoyl group.


name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester


protoporphyrin monomethyl ester

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


idonic acid derivative

A hexonic acid derivative that is formally obtained from idonic acid.


mannaric acid

A hexaric acid obtained by the oxidation of mannose.


propanoate ester

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


A beta-lactone that is oxetan-2-one carrying two alkyl substituents at positions 3 and 4 with cis-stereochemistry.


An alkanesulfonic acid  that is propanal carrying hydroxy and sulfo substituents at positions 2 and 3 respectively


The 5beta-stereoisomer of 3-hydroxypregnan-20-one.


β-Cyano-L-alanine

A cyanoamino acid that is the 3-cyano-derivative of L-alanine.


An L-arginine derivative in which the delta-nitrogen atoms carries a hydroxy group, one of the omega-nitrogen atoms carries a hydroxy group and the other omega-nitrogen atoms carries a methyl group; major species at pH 7.3.


NORTILIDINE

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


name: PB-22 N-pentanoic acid-3-carboxyindole metabolite


name: (4R,5R)-5-(2-azidophenyl)-2-[4-(3-hydroxypropoxy)phenyl]-4,5-dihydrooxazole-4-carboxylic acid methyl ester


beta-(N(pros)-L-histidino)-L-tyrosine

An L-tyrosine in which one of the beta-hydrogens in L-tyrosine is replaced by a L-histidino group joined via the N(pros)-position.


N-methyl-L-alanine

A methyl-L-alanine in which one of the the amino hydrogen of L-alanine is replaced by a methyl group.


hydroperoxy monounsaturated fatty acid

Any monounsaturated fatty acid carrying one or more hydroperoxy substituents.


methyl 4-aminobutanoate

A methyl ester resulting from the formal condensation of gamma-aminobutyric acid with methanol.


name: 2,4-dimethyl-6-oxo-3-pyrancarboxylic acid (3-nitrophenyl)methyl ester


(R)-2-benzylsuccinic acid

The (R)-enantiomer of 2-benzylsuccinic acid.


cholesteryl (5Z,8Z,11Z)-icosatrienoate

A cholesteryl octadecatrienoate obtained by formal condensation of the carboxy group of (5Z,8Z,11Z)-icosatrienoic acid with the hydroxy group of cholesterol.


tricamba

A methoxybenzoic acid that is 2-methoxybenzoic acid which is substituted at position 3, 5, and 6 by chlorines.


olefinic fatty acid

Any fatty acid containing at least one C=C double bond.


name: 3-[[2-(6-methoxy-3-benzofuranyl)-1-oxoethyl]amino]benzoic acid methyl ester


dimethyloxalylglycine

A glycine derivative that is the diester obtained by formal condensation of the carboxy groups of N-oxalylglycine with two molecules of methanol.


name: 2-[3-(2-nitroethenyl)-1-indolyl]acetic acid ethyl ester


3,4,5-trimethylphenyl methylcarbamate

A carbamate ester that consists of 3,4,5-trimethylphenol carrying an O-(N-methylcarbamoyl) group. One of two constituents of trimethacarb.


4,8,12-trimethyltridecanoic acid

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


A benzoate ester that is methyl benzoate substituted by hydroxy groups at positions 3 and 4 and a prenyl group at position 5. Isolated from Piper glabratum and Piper acutifolium, it exhibits antileishmanial activity.


name: 4-thiomorpholinecarbodithioic acid [2-(4-chlorophenyl)-2-oxoethyl] ester


(S)-mallotophilippen E

The (S)-enantiomer of mallotophilippen E.


A tripeptide consisting of Gln-Ala-Arg carrying a Boc group at the N-terminal and a 7-amino-4-methylcoumarin group at the C-terminal.


name: 5-bromo-2-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester


Jasmonate derivatives

Any octanoid that is derived from jasmonate.


name: 2-[6-oxo-3-(2-phenylethenyl)-1-pyridazinyl]acetic acid ethyl ester


penicillenic acid

A compound formed spontaneously from a penicillin in aqueous solution via a rearrangement which involves fission of the beta-lactam ring, formation of an oxazolone ring and cleavage of the thiazolidine ring to generate a free sulfhydryl group.


isopropyl 3-hydroxybut-2-enoate

An isopropyl ester resulting from the formal condensation of the carboxy group of 3-hydroxybut-2-enoic acid with isopropanol.


essential fatty acid

Any member of the sub-set of polyunsaturated fatty acid for which there is an absolute dietary requirement.


An aldehyde that is thiophene substituted by a formyl group at position 3.


LITSEAEFOLOSIDE C

An O-acyl carbohydrate consisting of glucose attached to 2-hydroxy-4-vanilloyloxymethylphenyl and trans-caffeoyl group at positions 1 and 6 respectively. Isolated from stems of Ilex latifolia, it exhibits inhibitory activity against alpha-glucosidase and lipase.


aristolochic acids

Organic heterotetracyclic compounds which are a group of nitro phenanthrene organic acids, naturally found in many kinds of plants, such as Aristolochia and Asarum, and widely cultivated in Asia.They are identified as a class 1 human carcinogen by the International Agency for Research on Cancer owing to their carcinogenicity and nephrotoxicity and can pose a significant hazard to food safety and human health.


JASPLAKINOLIDE Q

A cyclodepsipeptide isolated from Jaspis splendens.


A dialkyl ketone that is hentriacontane in which the hydrogens at position 16 are replaced by an oxo group.


name: 4-[[(3,4-dimethoxyanilino)-oxomethyl]amino]benzoic acid butyl ester


guangsangon L

A member of the class of polyphenols consisting of a methylcyclohexene ring attached to a 2,4-dihydroxyphenyl, 2,4-dihydroxybenzoyl and 2,4-dihydroxybenzaldehyde moieties at positions 5'', 4'' and 3'' respectively. Regarded biogenetically as a Diels-Alder adduct, it is isolated from the stem barks of Morus macroura and exhibits antioxidant activity.


An L-isoleucine derivative resulting from the formal condensation of the carboxy group of (+)-7-isojasmonic acid with the amino group of L-isoleucine.


(+)-MCPG

A non-proteinogenic alpha-amino acid that is alanine in which the alpha-hydrogen is replaced by a 4-carboxyphenyl group (the S-enantiomer). It is a non-selective group I/group II metabotropic glutamate receptor (mGluR) antagonist.


3-deoxy-D-manno-octulosonic acid

An eight-membered ketoaldonic acid having D-manno configuration


A C-glycosyl compound that is isoorientin in which the hydroxyl hydrogen at position 7 is replaced by a 6-feruloylglucosyl residue.


A muconic semialdehyde compound having a hydroxy substituent at the 2-position and a methyl substituent at the 5-position.


cholesteryl behenate

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


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


A 3beta-sterol that is 5alpha-cholest-8-en-3beta-ol carrying an additional formyl substituent at position 4alpha.


4-O-beta-D-glucosyl-trans-caffeic acid

A hydroxycinnamic acid that is trans-caffeic acid in which the phenolic hydroxy group at position 4 has been converted into its beta-D-glucoside.


A monounsaturated fatty aldehyde that is nonanal that has undergone dehydrogenation to introduce a double bond at any position in the aliphatic chain and in which a hydrogen at position 4 has been replaced by a hydroxy group.


fatty acid 16:4

Any polyunsaturated fatty acid containing 16 carbons and 4 double bonds.


thyronine

A tyrosine derivative where the phenolic hydrogen of tyrosine is substituted by 4-hydroxyphenyl.


SOFALCONE

A member of the class of chalcones that is benzene in which the hydrogens at positions 1,2 and 5 are replaced by carboxymethoxy, (1E)-1-{4-[(3-methylbut-2-en-1-yl)oxy]phenyl}-3-oxoprop-1-en-3-yl, and (3-methylbut-2-en-1-yl)oxy groups, respectively. It is a gastrointestinal drug currently used for treatment of gastritis and gastric ulcers in Japan and South Korea.


gamma-CEHC beta-glucuronide

A member of the class of chromanes that is gamma-CEHC in which the phenolic hydrogen is replaced by a beta-glucuronosyl residue.


13-(octadecanoyloxy)octadecanoic acid

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


A fuconolactone that is L-fucopyranose in which the hydroxy group at position 1 is replaced by an oxo group.


2-acetyllactic acid

A derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively.


name: acetic acid [2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] ester


hydroxypyruvaldehyde phosphate

A 2-oxo aldehyde consisting of pyruvaldehyde having a phosphooxy group at the 3-position.


4-acetamidobutanoic acid

An N-acyl-gamma-aminobutyric acid resulting from the monoacetylation of the nitrogen of GABA.


L-glutamic 5-semialdehyde

A glutamic semialdehyde arising from formal reduction of the side-chain carboxy group of L-glutamic acid.


ethyl 3-hydroxybutyrate

The fatty acid ethyl ester of  3-hydroxybutyric acid.


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


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


name: 2-(butylamino)benzoic acid [2-oxo-2-(4-sulfamoylanilino)ethyl] ester


fatty acid 20:4

Any polyunsaturated fatty acid containing 20 carbons and 4 double bonds.


A 4,6-O-[(1R)-1-carboxyethylidene]-D-galactose having alpha-configuration at the anomeric centre.


acetoveratrone

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


largamide F

A 19-membered cyclodepsipeptide isolated from the marine cyanobacterium Oscillatoria sp. It exhibits significant inhibitory activity against the enzyme chymotrypsin (EC 3.4.21.1).


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


name: 4-cyclopropyl-2-[[2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester


(R)-3-(indol-3-yl)-2-oxobutyric acid

The (R)-enantiomer of 3-(indol-3-yl)-2-oxobutyric acid.


name: 4-[2-(3-methoxyphenyl)-2-oxoethoxy]benzoic acid methyl ester


3-phenylpropyl acetate

The acetate ester of 3-phenylpropan-1-ol.


4-hydroxy carboxylic acid

Any hydroxy carboxylic acid which contains a hydroxy substituent gamma to a carboxy group.


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


A 4-methyl-L-glutamic acid in which the methyl group at position 4 adopts R-configuration.


Gly-Gly residue

A glycine-glycine dipeptide residue


alkyl cinnamate

A cinnamate ester rusulting from the formal condensation of cinnamic acid with any alkyl alcohol.


ferulic acid 4-sulfate

A member of the class of cinnamic acids that is ferulic acid in which the phenolic hydrogen has been replaced by a sulfo group.


JASPAMIDE C

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


name: 2-[[4-[(1-methyl-2-oxo-4-quinolinyl)oxy]-1-oxobutyl]amino]benzoic acid methyl ester


kalimantacin A

A  fatty acid derivative isolated from the fermentation broth of Alcaligenes sp. YL-02632S. It is an antibiotic with antibacterial activity.


A methyl ketone that is nonan-2-one carrying a double bond at position 5.


aureobasidin A

A cyclodepsipeptide antibiotic, which is isolated from the filamentous fungus Aureobasidium pullulans R106 and is toxic to yeast at low concentrations (0.1-0.5 ug/ml).


hydroxy-L-lysine

A hydroxy-amino acid that is L-lysine substituted by hydroxy groups.


A steroid glucosiduronic acid that is lithocholic acid having a single beta-D-glucuronic acid residue attached at position 3.


name: 4-{[tricycle(3.2.1.11,3)non-8-yl] methoxy carbonyl benzene-1,3-dicarboxylic acid} (2,4,5,6,7, 8, 9 heptaoxa, 3-ethoxy, 5,6,7,9-tetramethyl unidecane)


name: cis-4,7,10,13,16,19-docosahexaenoic acid methyl ester


A 5-hydroxypenta-2,4-diene-1,2,5-tricarboxylic acid in which the double bond geometry is specified as (2E,4Z).


hexacosanedioic acid

An alpha,omega-dicarboxylic acid that is hexacosane in which the methyl groups have been oxidised to the corresponding carboxylic acids.


N-methyl-L-valine

An optically active form of N-methylvaline having L-configuration.


The (4R,7R)-stereoisomer of  4-isopropenyl-7-methyloxepan-2-one.


2-(p-coumaroyl)malic acid

A carboxylic ester obtained by formal condensation of the carboxy group of 4-coumaric acid with the hydroxy group of  malic acid.


ROBUSTASIDE F

A beta-D-glucoside in which the anomeric position is substituted by a 4-hydroxyphenoxy residue and the positions 2 and 6 are substituted by [(2Z)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoyl]oxy residues. Isolated from Grevillea, it exhibits antimalarial activity.


2-ethylacetoacetic acid

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


leucodopachrome

Indoline substituted with hydroxy groups at C-5 and -6 and a carboxy group at C-2, and with S stereochemistry at C-2.


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


A 2-oxo monocarboxylic acid that is 2-oxobut-3-enoic acid in which one of the methyl hydrogens is substituted by a 3-hydroxy-1-benzothiophen-2-yl group.


naphthyl ketone

An aromatic ketone in which the keto unit is bound to at least one naphthyl group.


tensyuic acid

Compounds whose skeleton is based on 3-alkyl-2-methylidenebutanedioic acid (3-alkylitaconic acid) derivatives originally isolated from the culture broth of Aspergillus niger FKI-2342.


An amino disaccharide composed of N-acetylneuraminic acid and 2-(acetylamino)-2-deoxy-D-galactopyranose residues joined by an (alpha-2->6) glycosidic bond.


(6E,8Z,11Z)-5-oxoicosatrienoic acid

A trienoic fatty acid that is (6E,8Z,11Z)-icosatrienoic acid carrying an additional oxo substituent at position 5.


3,4-dimethoxycinnamyl acetate

An acetate ester that is cinnamyl acetate substituted by methoxy groups at positions 3' and 4' respectively.


An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of (15S)-hydroperoxy-(5Z,8Z,11Z,13E)-icosatetraenoic acid.


heptenoic acid

A C7, medium-chain fatty acid carrying a double bond at any position along the main chain.


beta-chrysopine

A chrysopine formally derived from beta-D-fructopyranose.


2,3-dihydro-3-oxoanthranilic acid

An oxo carboxylic acid that is the 2,3-dihydro-3-oxo tautomer of 3-hydroxyanthranilic acid.


MULTIPLOLIDE A

A 10-membered lactone obtained from 10-methyl-9,10-dihydro-2H-oxecin-2-one by the epoxidation of the double bond at position 3-4 and cis-dihydroxylation of the double bond at position 7-8. Multiplolide A was first isolated from the fungus Xylaria multiplex BCC 1111. It shows antifungal activity against Candida albicans.


pentyl butyrate

The butyrate ester of pentan-1-ol.


17alpha-hydroxywithanolide D

A withanolide that is the 17alpha-hydroxy derivative of withanolide D. Isolated from Tubocapsicum anomalum and Withania somnifera, it exhibits cytotoxic activity.


name: 4-(5-formyl-2-furanyl)benzoic acid propyl ester


name: 9R-hydroxy-10E,12E-octadecadienoic acid, methyl ester


9-(methylsulfinyl)nonanoic acid

A monocarboxylic acid that is nonanoic acid in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.


hexadienal

An  enal that is hexadiene carrying an oxo group at position 1.


milbemectin

Mixture of 70% of milbemycin A4 and 30% of milbemycin A3.


The 20-hydroxy derivative of leukotriene B4.


hydroxyacetone

A propanone that is acetone in which one of the methyl hydrogens is replaced by a hydroxy group.


benzyl 2,5-dihydroxybenzoate

A benzoate ester resulting from the formal condensation of the carboxy group of 2,5-dihydroxybenzoic acid with the hydroxy group of phenylmethanol.


(2E)-2-heptadecenoic acid

A heptadecenoic acid in which the olefinic double bond is at the 2-3 position.


name: Nonactic acid-trihomononactic acid dilactone


nitro fatty acid

Any nitrogen-containing fatty acid that is fatty acid containing at least one nitro group.


dityrosine

A biphenyl compound comprising two tyrosine residues linked at carbon-3 of their benzene rings.


name: 3-benzamido-3-oxopropanethioic acid S-methyl ester


A hydroperoxyoctadecatrienoic acid that is (9Z,11E,14Z)-octadecatrienoic acid in which the hydroperoxy group is located at position 13S.


BIPINNATONE A

A member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a farnesyl group at C-3. It is isolated from the aerial parts of Boronia bipinnata and exhibits antimalarial activity.


name: 3-methoxybenzoic acid [[1-amino-2-(4-chlorophenyl)ethylidene]amino] ester


Also published in: https://doi.org/10.1007/BF02898308, Asmer, et al. (1988) Microbial production, structure elucidation, and bioconversion of sophorose lipids. JAOCS, 65: 1460-1466.


A hydroperoxy fatty ester resulting from the formal condensation of the carboxy group of (5Z,7E,11Z,14Z)-9-hydroperoxy-20-hydroxyicosa-5,7,11,14-tetraenoic acid with methanol.


A delta-lactone that is 3,5,7,7a-tetrahydro-2H-furo[3,4-b]pyran-2-one substituted by a hydroxy group at position 3 and propenyl groups at positions 5 and 7. Isolated from the fermantation broth of Myceliophthora lutea TF-0409, it exhibits broad spectrum activity against cultured tumor cell lines, including adriamycin-resistant HL-60 cells.


name: 2-Formylphenylboronic acid neopentyl glycol ester


name: N-(4-fluorophenyl)carbamic acid (2-oxo-1H-pyridin-3-yl) ester


tensyuic acid B

A tensyuic acid that is itaconic acid which has been substituted at position 3 by a 5-(methoxycarbonyl)pentyl group. The (-)-isomer, isolated from Aspergillus niger FKI-2342.


cis-octadec-2-enoic acid

An octadec-2-enoic acid having a cis- double bond.


WITHALONGOLIDE N

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


ANANOLIGNAN J

A lignan with a dibenzocyclooctadiene skeleton isolated from Kadsura ananosma


erythromycin C

An erythromycin that consists of erythronolide A having 2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl and 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl residues attahced at positions 4 and 6 respectively.


A 3-(4-hydroxycyclohex-2-en-1-ylidene)pyruvic acid having 1E,4R stereochemistry.


(13Z,16Z)-docosadienoic acid

A docosadienoic acid having two cis-double bonds at position 13 and 16 respectively.


A glycosyloxyflavone that is isovitexin in which the hydroxyl hydrogen at position 7 is replaced by a 6-sinapoylglucosyl residue.


1,3,4,5-tetracaffeoylquinic acid

A cinnamate ester obtained by the formal condensation of hydroxy groups at positions 1, 3, 4 and 5 of (-)-quinic acid with the carboxy group of four molecules of trans-caffeic acid respectively.


(S)-acenocoumarol

The (R)-enantiomer of acenocoumarol.


beta-triketone

A triketone in which the each ketone functionality is located beta- to the other two.


heptafluorobutyric anhydride

An acyclic carboxylic anhydride that is perfluorinated butyric anhydride. It is used as a derivatising reagent for gas chromatographic analyses.


heptanoate ester

Any fatty acid ester where the carboxylic acid component is heptanoic (also known as enanthic) acid.


methyl red

An azo dye consisting of benzoic acid substituted at position 2 by a 4-[(dimethylamino)phenyl]diazenyl group.


name: 2-chloro-5-[[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]amino]benzoic acid methyl ester


A member of the class of isochromanes that is 3,4-dihydroisocoumarin substituted by an acetoxy group at position 4, a methoxy group at position 6 and a pentyl group at position 3. Isolated from Xyris pterygoblephara, it exhibits activity against dermatophyte fungi.


trans-2,3-epoxysuccinic acid

The trans-2,3-epoxy derivative of succinic acid.


name: acetic acid [3-[3-(dimethylamino)-1-oxopropyl]-5-benzofuranyl] ester


epoxy monocarboxylic acid

Monocarboxylic acids containing at least one epoxy group.


(+)-jasplakinolide Z2

A depsipeptide isolated from Jaspis splendens.


delta-amino acid ester

Any ester of a delta-amino acid.


An amino disaccharide consisting of two alpha(2->9)-linked sialic acid units; corresponds to the repeating unit in the group C polysaccharide of Neisseria meningitidis (MenC).


N-hydroxy-L-valine

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


SYRINGALDEHYDE

A  hydroxybenzaldehyde that is 4-hydroxybenzaldehyde substituted by methoxy groups at positions 3 and 5. Isolated from Pisonia aculeata and Panax japonicus var. major, it exhibits hypoglycemic activity.


THIOPHANATE METHYL

A member of the class of thioureas that is the dimethyl 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.


N-acetyl-amino acid

An N-acyl-amino acid that has acetyl as the acyl group.


fluorobenzoic acid

Any benzoic acid carrying at least one fluoro substituent on the benzene ring. Fluorobenzoic acids are important intermediates in the synthesis of antibacterial drugs.


epi-dihydrophaseic acid

A cyclic ether that is phaseic acid in which the keto group has been reduced to the corresponding alcohol such that the two hydroxy groups are on the same side of the 6-membered ring.


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


3-(2-methoxyethoxy)propanoic acid

A monocarboxylic acid that is propanoic acid substituted at C-3 by a 2-methoxyethoxy group.


name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester


chlorophenoxyacetic acid

A monocarboxylic acid that is phenoxyacetic acid in which at least one of the phenyl hydrogens is replaced by chlorine.


A docosanoid that is (7R,17S)-dihydroxy-(4Z,9,11,13Z,15E,19Z)-docosahexaenoic acid in which a glutathionyl group is attached at position 8S via a sulfide linkage. An intermediate of specialised proresolving mediators.


PESCAPREIN XXVII

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


hexyl butyrate

A fatty acid ester obtained by the formal condensation of hexanol with butyric acid.


The ester formed between N-hydroxysuccinimide and (4-hydroxy-5-iodo-3-nitrophenyl)acetic acid.


(2R)-homocitric acid

The (R)-enantiomer of homocitric acid.


macrolide lactam

A macrolide in which the macrocyclic lactone ring includes an amide group.


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


meta-hydroxyphenylhydracrylic acid

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


4-(sulfooxy)-cinnamic acid

An aryl sulfate that is (2E)-3-phenylprop-2-enoic acid which is substituted by a sulfooxy group at position 4. It is produced by the seagrass Zostera marina and has very promising antifouling potential against several micro- and macrofouling organisms.


wax ester

A fatty acid ester resulting from the condensation of the carboxy group of a fatty acid with the alcoholic hydroxy group of a fatty alcohol.


An omega-hydroxy fatty acid ascaroside obtained by formal condensation of the alcoholic hydroxy group of 13-hydroxytridecanoic acid with ascarylopyranose (the alpha anomer). It is a metabolite of the nematode Caenorhabditis elegans.


name: (-)-9,10-dihydrojasmonic acid glucosyl ester


subulatin

An alkyl caffeate ester isolated from Lophocolea heterophylla and Jungermannia subulata and has been shown to exhibit antioxidant activity.


name: 7-benzoyl-3-chloroindolizine-1,2-dicarboxylic acid dimethyl ester


(S)-dihydrolipoic acid

The (S)-enantiomer of dihydrolipoic acid.


3-(1-cyanoethyl)benzoic acid

Benzoic acid meta-substituted with a 1-cyanoethyl group.


COMAZAPHILONE D

An azaphilone that is 5,6,7,8-tetrahydro-1H-isochromene substituted by a hydroxy and methyl group at position 7, an oxo group at position 8, a prop-1-en-1-yl group at position 3 and a (2,4-dihydroxy-6-methylbenzoyl)oxy group at position 6.Isolated from Penicillium commune, it exhibits antibacterial and antineoplastic activities.


The closest compound in MetaCyc is '3-C-gluc-tautomer-2-hydroxyflavanones', but this compound includes two additional OH groups


(E)-3-(trifluoromethyl)cinnamic acid

A member of the class of   (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position.


chlorfenac

A member of the class of phenylacetic acids that is phenylacetic acid in which the phenyl group has been substituted by chlorines at positions 2, 3, and 6. An obsolete herbicide that was used as its sodium and ammonium salts.


D-erythro-isocitric acid

The D-erythro-stereoisomer of isocitric acid.


name: 3-(methylthio)-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid ethyl ester


An  aromatic ketone that is  propan-1-one substituted by a 2,4-dihydroxy-3,5-dimethoxyphenyl group at position 1. It has been isolated from the leaves of Garcia parviflora.


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


hexahomomethionine

A sulfur-containing amino acid consisting of 2-aminodecanoic acid having a methylthio substituent at the 10-position.


ETHOXYCARBONYL GROUP

A formate ester resulting from the formal condensation of formic acid with ethanol.


N-acyl-amino acid

A carboxamide resulting from the formal condensation of a carboxylic acid with the amino group of an amino acid.


wax ester 36:1

A wax ester containing a total of 36 carbons and 1 double bond.


name: 5-[(4-chlorophenyl)-oxomethyl]-2-(dimethylaminomethylidene)-3-oxo-7-pyrrolo[2,1-b]thiazolecarboxylic acid methyl ester


L-glutamic acid

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


cystathionine

A modified amino acid generated by enzymic means from L-homocysteine and L-serine.


(R)-hydnocarpic acid

An optically active form of hydnocarpic acid having (R)-configuration.


isosilybin

A flavonolignan isolated from Silybum marianum.


valine

A branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group.


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

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


3-oxo-3-ureidopropanoic acid

The ureido derivative of malonic acid.


caffeoylglycolic acid methyl ester

A cinnamate ester obtained by the condensation of trans-caffeic acid with methyl hydroxyacetate. It is isolated from the leaves of Parthenocissus tricuspidata and exhibits antioxidant activity.


Se-methyl-D-selenocysteine

A D-alpha-amino acid compound having methylselanylmethyl as the side-chain.


mediomycin A

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


N,N-dihydroxy-L-hexahomomethionine

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


lanosteryl ester

A sterol ester obtained by formal condensation of the 3-hydroxy group of lanosterol with the carboxy group of any carboxylic acid.


A monocarboxylic acid consisting of cyclopropanecarboxylic acid having four methyl substituents.


jaspamide N

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


S-alkyl-L-cysteine S-oxide

An S-alkyl-L-cysteine in which the sulfur of the thioether moiety has been oxidised to the corresponding sulfoxide.


A (4Z,7Z,10Z,13Z,19Z)-16,17-epoxydocosapentaenoic acid in which the chiral centres at positions 16 and 17 both have S-configuration. An intermediate of specialized proresolving mediators


name: 3-acetamidobenzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester


grassypeptolide

A 31-membered macrocyclic cyclodepsipeptide isolated from the cyanobacterium Lyngbya confervoides and has been shown to exhibit antineoplastic activity.


ultra-long-chain fatty acid

Any very long-chain fatty acid which has a chain length greater than C27.


A member of the class of tetralins obtained by formal epoxidation across the 2,3-double bond of menatetrenone.


name: 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester


N-benzyloxycarbonylglycine

A derivative of glycine having a benzyloxycarbonyl protecting group attached to the nitrogen.


(R)-mecoprop

The (R)-enantiomer of 2-(4-chloro-2-methylphenoxy)propanoic acid; the active stereoisomer of the racemic herbicide mecoprop.


2-hydroxy-5-methyl-1-naphthoic acid

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


alpha-aminosuberic acid

An alpha-amino acid that is octanedioic acid substituted by an amino group at position 2.


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


name: 2-fluorobenzoic acid [[amino-(5,7-dimethyl-3-pyrazolo[1,5-a]pyrimidinyl)methylidene]amino] ester


fatty acid phytyl ester

A fatty acid ester resulting from the formal condensation of the hydroxy group of phytol with the carboxy group of any fatty acid.


benzenedicarboxylic acid

A member of the class of benzoic acids in that consists of benzene substituted by two carboxy groups (A closed class).


A member of the class of  chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and methyl groups at positions 3' and 5'. 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.


MERTANSINE

An organic heterotetracyclic compound and 19-membered macrocyclic lactam that is maytansine in which one of the hydrogens of the terminal N-acetyl group is replaced by a sulfanylmethyl group.


name: 2-cyano-3-[4-[2-(2,4-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]-2-propenoic acid ethyl ester


name: 4-[[4-cyclohexyl-3-(2-hydroxyethyl)-1-piperazinyl]methyl]benzoic acid methyl ester


BIPINNATONE B

A member of the class of dihydrochalones that is dihydrochalcone hydroxylated at C-2', C-4', C-6' and C-4 and substituted by a geranyl group at C-3. It is isolated from the aerial parts of Boronia bipinnata and exhibits antimalarial activity.


A member of the class of thiocyanates that is 3,4-dihydroxyacetophenone in which one of the methyl hydrogens has been replaced by the sulfur of a cyanosulfanediyl (-SC#N) group. It has been found to induce the expression of the endoplasmic reticulum chaperone protein GRP78 (78 kDa glucose-regulated protein, BiP, a highly conserved member of the 70 kDa heat shock protein family) leading to an attenuation of the unfolded protein response. It protects neuronal cells and retinal cells from endoplasmic reticulum (ER)-stress induced cell death.


o-methylhippuric acid

An N-acylglycine that is the ortho-methyl derivative of hippuric acid.


name: 2-(1,3-dioxo-2-isoindolyl)acetic acid [3-acetyl-2-methyl-1-(4-methylphenyl)-5-indolyl] ester


docosanedioic acid

An alpha,omega-dicarboxylic acid that is docosane in which the methyl groups have been oxidised to the corresponding carboxylic acids.


name: 2-[[2-(3-methyl-1-oxo-2-isoquinolinyl)-1-oxoethyl]amino]acetic acid ethyl ester


desferrimycobactin T

A cyclic hydroxamic acid secreted by Mycobacterium tuberculosis which is lipid-soluble and acts as a siderophore.


name: N-phenylcarbamic acid [5-(2-chlorophenyl)-3-isoxazolyl]methyl ester


name: 2-(3,5-dimethylphenoxy)acetic acid [3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl] ester


hydroperoxyoctadecenoic acid

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


An N(2)-acyl-L-glutamine that has 3-hydroxy-3-methylhexanoyl as the N(2)-acyl group.


indole-3-acetic acids

An  indol-3-yl carboxylic acid in which the carboxylic acid specified is acetic acid.


A nitrile that is  phenylacetonitrile substituted by a carboxy and a methoxy group at positions 1 and 3 respectively.


name: 4-[[1,2-dioxo-2-(pyridin-4-ylmethylamino)ethyl]amino]benzoic acid butyl ester


acemetacin

A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin.


A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 13-hydroxystearic acid.


A steroid acid that is 5alpha-cholest-7-en-26-oic acid that has S configuration at position 25 and is substituted by a hydroxy group at the 3alpha position. It is an endogenous ligand for DAF-12 in Caenorhabditis elegans.


Allantoic acid in which one of the aminocarbonyl groups is replaced by hydrogen.


N,N-dihydroxy-alpha-amino acid

An N-hydroxy amino acid in which the nitrogen of the parent amino acid is substituted by two hydroxy groups.


gamma-thiomethyl glutamate

A glutamic acid derivative with a methylsulfanyl group  at position 4.


rhizobactin 1021

A hydoxy monocarboxylic acid that is citric acid in which the two carboxy groups attached to methylene groups have each been converted to the carboxamide arising  by formal condensation with the primary amino group of N-hydroxypropane-1,3-diamine and in which the nitrogen of one of the hydroxylamino groups has been acetylated while the other has been acylated with a (2E)-dec-2-enoyl group. Rhizobactin 1021 is a siderophore obtained fromj the nitrogen-fixing alfalfa symbiont Rhizobium meliloti 1021.


aspartic acid

An alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent


N-formyl-D-kynurenine

A formamide that is the D-enantiomer of N-formylkynurenine.


A 2-hexenal in which the olefinic double bond has Z configuration.


cholesteryl stearate

A cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of stearic acid.


name: 4-[2-[(2,6-dimethoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester


carpaine

An alkaloid that forms a major component of the papaya leaves and has been shown to exhibit cardiovascular effects.


L-m-tyrosine

A hydroxyphenylalanine that is L-phenylalanine with a substituent hydroxy group at position 3.


palmitelaidic acid

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


A sulfonamide consisting of 4-phenylbutanoic acid with a 4-aminobenzenesulfonamido group at the phenyl 4-position.


veratrone

An aromatic ketone that is propanone substituted by a 3,4-dimethoxyphenyl group at position 1, a hydroxy group at position 3 and a 2-methoxyphenoxy group at position 2 respectively.


3-chlorolactic acid

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


name: 2,6-difluorobenzoic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester


name: 4-(4-bromophenyl)-2-(3,5-dimethyl-1-pyrazolyl)-4-oxobutanoic acid methyl ester


An imidazol-4-one having a 2-carboxyethyl substituent at the 5-position.


glucaric acid

A hexaric acid derived by oxidation of sugar such as glucose with nitric acid.


An oxo seco-steroid that is a meta-cleavage metabolite in the estrogen degradation pathway; an unstable precursor to pyridinestrone acid.


carbanolate

A carbamate ester that is phenyl methylcarbamate which is substituted by a chloro group at position 2 and by methyl groups at positions 4 and 5, respectively. It is an insecticide used in the the control of poultry ectoparasites.


ethyl (2R)-hydroxy(phenyl)acetate

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


name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid thiophen-2-ylmethyl ester


BEAUVERIOLIDE I

A cyclodepsipeptide with formula C27H41N3O5. It was originally isolated from the fungus Beauveria sp. FO-6979 during a screening program for inhibitors of lipid droplet accumulation in murine macrophages. It is an inhibitor of acyl-CoA: cholesterol acyltransferase (ACAT) and effective at reducing atherogenic lesions of the artery and heart in mouse models.


allysine

An alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group.