A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups of dTDP-4-dehydro-2,3,6-trideoxy-alpha-D-glucose; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-amino-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-4-(methylamino)-2,3,4,6-tetradeoxy-alpha-D-glucose; major species at pH 7.3.


A nucleotide-sugar oxoanion arising from deprotonation of the diphosphate OH groups and protonation of the amino group of dTDP-alpha-D-forosamine; major species at pH 7.3.


Orkambi

A two-drug mixture consisting of lumacaftor and ivacaftor, which is used for the treatment of cystic fibrosis.


lumacaftor

An aromatic amide obtained by formal condensation of the carboxy group of 1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid with the aromatic amino group of 3-(6-amino-3-methylpyridin-2-yl)benzoic acid. Used for the treatment of cystic fibrosis.


sugammadex

An octasaccharide derivative that is gamma-cyclodextrin in which all eight primary hydroxy groups are replaced by 2-(carboxyethyl)sulfanyl groups. Used (as the octasodium salt) for reversal of neuromuscular blockade induced by rocuronium and vecuronium in adults undergoing surgery.


A cyclic ketone that is 4-ethylcyclohexanone which is substituted by pyridin-3-ylmethylene groups at positions 2 and 6. It is a potent small molecule stimulator of steroid receptor coactivators (SRCs). MCB-613 increases SRCs' interactions with other coactivators and markedly induces ER stress coupled to the generation of reactive oxygen species. Since cancer cells overexpress SRCs and rely on them for growth, MCB-613 can be used to selectively induce excessive stress in cancer cells.


bacteriochlorophyllide d(1-)

A cyclic tetrapyrrole anion that is obtained from any bacteriochlorophyllide d via deprotonation of the carboxy group; major species at pH 7.3.


A cineole in which the 1,4-cineole skeleton is substituted at C-2 with a hydroxy group oriented exo (S configuration).


A carbohydrate acid derivative anion obtained by global deprotonation of the carboxy groups of sugammadex.


Stiolto Respimat

A two-drug mixture consisting of tiotropium, a long acting muscarinic antagonist and olodaterol, a long-acting beta-agonist; used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.


L-selenohomocysteine

A selenoamino acid that is the selenium analogue of L-homocysteine.


Utibron Neohaler

A two-drug mixture consisting of glycopyrronium bromide, a muscarinic antagonist and indacaterol, a beta-2 receptor agonist; used for maintenance treatment of airflow obstruction in patients with chronic obstructive pulmonary disease.


bacteriochlorophyllide c(1-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any bacteriochlorophyllide c; major species at pH 7.3.


3-vinyl-bacteriochlorophyllide d(1-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any 3-vinyl-bacteriochlorophyllide d; major species at pH 7.3.


7-hydroxybacteriochlorophyllide c(1-)

A cyclic tetrapyrrole anion obtained by deprotonation of the carboxy group of any 7-hydroxybacteriochlorophyllide c; major species at pH 7.3.


1alpha,23(S),25-trihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) bearing additional hydroxy substituents at positions 1, 23 and 25 (with 1alpha,23S-configuration). An intermediate in the degradation pathway of 1alpha,25-(OH)2D3.


lipid A-F

A lipid A derivative, prepared from Campylobacter jejuni HS:19, in which each of its two glucosaminyl units is substituted on nitrogen by a 3-(2-hydroxytetracosanoyloxy)octadecanoyl unit.


An L-alpha-amino acid residue derived from O(4)-(N-acetyl-alpha-D-galactosaminyl)-trans-4-hydroxy-L-proline.


20-hydroxylipoxin A4

A member of the class of lipoxins that is lipoxin A4 carrying an additional hydroxy substituent at position 20.


A lipooligosaccharide, prepared from Campylobacter jejuni (strain HS:19). It binds with cholera toxin B.


20-hydroxylipoxin B4

A member of the class of lipoxins that is lipoxin B4 carrying an additional hydroxy substituent at position 20.


A DiHETE that is 5-HETE carrying an additional hydroxy substituent at position 20.


23(S),25-dihydroxy-24-oxovitamin D3

A hydroxycalciol that is 25-hydroxyvitamin D3 carrying an additional hydroxy group at position 23 (with 23S-configuration) and an oxo group at position 24. An intermediate in the degradation pathway of 25-OH-vitamin D3.


A tetrasaccharide glycosyl group consisting of beta-D-galactosyl, beta-D-N-acetyl-galactosaminyl and D-galactosyl residues linked sequentially (1->3) and (1->4), to the D-galactosyl residue at the reducing end is also linked (2->3) an N-acetyl-alpha-neuraminyl residue.


A DiHETE that is 8-HETE carrying an additional hydroxy substituent at position 20.


(20S)-hydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying an additional hydroxy group at position 20 with S-configuration.


20(S),25-dihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups  at positions 20 (with S-configuration) and 25.


(20S,24R)-dihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration) and 24 (with R-configuration).


(20S,24S)-dihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 and 24 (both with S-configuration).


A carbohydrate acid derivative anion obtained by deprotonation of the phosphate and carboxy groups of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid 9-phosphate


A carbohydrate acid derivative anion obtained by deprotonation of the carboxy group of 3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid


A nucleotide-sugar oxoanion obtained by deprotonation of the carboxylic acid and phosphate functions of CMP-3-deoxy-D-glycero-beta-D-galacto-nonulosonic acid; major species at pH 7.3.


A DiHETE that is 12-HETE carrying an additional hydroxy substituent at position 20.


20-hydroxy-6-trans-leukotriene B4

A member of the class of leukotrienes that is 6-trans-leukotriene B4 bearing an additional hydroxy substituent at position 20.


A member of the class of biphenyls that is benzidine in which one of the hydrogens ortho to each of the amino groups has been replaced by an amino group.


A HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton.


A 12-HPEPE in which the hydroperoxy group at positions 12 has S-configuration.


An ammonium ion resulting from the protonation of the amino group of alvocidib.


resolvin E1(1-)

An icosanoid anion resulting from the removal of a proton from the carboxy group of resolvin E1; major species at pH 7.3.


18-oxoresolvin E1(1-)

An icosanoid anion resulting from the removal of a proton from the carboxy group of 18-oxoresolvin E1; major species at pH 7.3.


sucrose 6(G)-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of sucrose 6(G)-phosphate; major species at pH 7.3.


asperlicins

Any of the organic heteropolycyclic quinazolinone alkaloid mycotoxins originally isolated from the fungus Aspergillus alliaceus. The term also includes their semi-synthetic and synthetic analogues.


D-galactopyranose 6-phosphate(2-)

A D-glucopyranose 6-phosphate(2-) resulting from deprotonation of the phosphate OH groups of D-galactopyranose 6-phosphate; major species at pH 7.3.


A hydroxy monocarboxylic acid anion that is the conjugate base of 5-[(E)-caffeoyl]shikimic acid. Major structure at pH 7.3


A vitamin D that is 19-norcalcitriol carrying an additional 3-hydroxypropyl substituent at position 2. A synthetic analogue of vitamin D, it exhibits anticancer properties.


aromatic carboxylate

A carboxylic acic anion obtained by deprotonation of the carboxy group of any aromatic carboxylic acid. Major species at pH 7.3.


A member of the class of pterocarpans that is 3-hydroxy-9,10-dimethoxypterocarpan in which the phenol hydrogen is replaced by a beta-D-glucosyl residue.


(2Z,4Z)-2,3-dichloromuconic acid

A 2,3-dichloromuconic acid in which both double bonds have Z geochemistry.


A 2,3-dichloromuconate(2-) obtained by deprotonation of the carboxy groups of (2Z,4Z)-2,3-dichloromuconic acid. Major species at pH 7.3


A member of the class of enamides obtained by formal condensation of the carboxy group of 2-benzamido-3-phenylprop-2-enoic acid with the aromatic amino group of 2-[(4-aminophenyl)sulfanyl]propanoic acid, the carboxy group of which has also undergone formal condensation with the amino group of 5-chloro-2,4-dimethoxyaniline.


D-ribose 5-triphosphate(4-)

An organophosphate oxoanion resulting from the deprotonation of all four phosphate OH groups from D-ribose 5-triphosphate; major species at pH 7.3.


mersacidin zwitterion

A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of mersacidin. Major species at pH 7.3.


trisporic acid

Trisporic acids are C-18 terpenoid compounds consisting of (1S)-1,3-dimethyl-4-oxocyclohex-2-ene-1-carboxylic acid which is substituted at position 3 by a (1E-3-methylocta-1,3-dien-1-yl side chain. The double bond at position 3 of the side chain can have E or Z geometry. Position 7 of the side chain may be unsubstituted (trisporic acid A) or substituted by a hydroxy group (trisporic acid B) or an oxo group (trisporic acid C). The trisporic acids are synthesized via beta-carotene and retinol pathways in the Zygomycetes and are pheromone compounds responsible for sexual differentiation in those fungal species.


propanesulfenic acid

An S-alkylsulfenic acid that is sulfenic acid in which the thiol hydrogen is replaced by a propyl group.


An aryl thiol that is thiophenol substituted at position 2 by an amino group.


A dicarboxylic acid anion obtained by deprotonation of the carboxy groups as well as the 10'-hydroxy group of actinorhodin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


S-propyl propanethiosulfinate

A sulfinic acid derivative obtained by formal condensation of propanethiosulfinic acid with propanethiol.


A benzochromenone that is beta-lapachone in which one of the hydrogens attached to the carbon adjacent to that bearing the gem-dimethyls is replaced by a bromine.


astragaloside I

A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2,3-di-O-acetyl-beta-D-xylosyl and beta-D-glucosyl residues respectively.


astragaloside II

A triterpenoid saponin that is cycloastragenol glycosylated at positions 3 and 6 by 2-O-acetyl-beta-D-xylosyl and beta-D-glucosyl residues respectively.


biliverdin hydrochloride

A hydrochloride obtained by combining biliverdin with one molar equivalent of hydrogen chloride.


A pyrimidinecarboxylate ester that is the ethyl ester of 4-chloro-2-(methylsulfanyl)hexahydropyrimidine-5-carboxylic acid.


epithienamycin E

A member of the class of carbapenems that is (5R,6R)-3-{[(E)-2-aminoethenyl]sulfanyl}-6-[(1S)-1-hydroxyethyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid in which the free hydroxy and amino groups are carrying sulfo and acetyl substituents respectively.


methyl icosapentaenoate

A fatty acid methyl ester that is the methyl ester of any icosapentaenoic acid.


fertaric acid

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


A glucosylglycerol consisting of a D-glucosyl residue attached at position 1 of glycerol via a glycosidic bond.


A beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylsphingosine in which the acyl group specified is tetradecanoyl.


propyl linoleate

A fatty acid ester resulting from the formal condensation of the carboxy group of linoleic acid with the hydroxy group of propanol.


phosphatidylinositol 36:3(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 36 carbons and 3 double bonds.


L-o-tyrosine

A 2-hydroxyphenylalanine that has L-configuration.


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


phosphatidylinositol 38:3(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 38 carbons and 3 double bonds.


phosphatidylinositol 40:6(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 40 carbons and 6 double bonds.


D-o-tyrosine

A 2-hydroxyphenylalanine that has D-configuration.


phosphatidylinositol 25:0(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 25 carbons and are fully saturated.


2-naphthyl dihydrogen phosphate

An aryl phosphate resulting from the formal condensation of phosphoric acid with 1 mol eq. of 2-naphthol. It is a substrate for phosphatase.


phosphatidylinositol 31:1(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 31 carbons and 1 double bond.


phosphatidylinositol 37:4(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 37 carbons and 4 double bonds.


aryl phosphonate

A phosphonic ester in which at least one of the esterifying groups is aromatic.


phosphatidylinositol 43:6(1-)

A 1-phosphatidyl-1D-myo-inositol(1-) in which the two phosphatidyl acyl groups contain a total of 43 carbons and 6 double bonds.


phenyl hydrogen phosphonate

An aryl phosphate resulting from the formal condensation of phosphonic acid with 1 mol eq. of phenol


phosphatidylcholine 25:0

A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 contain 25 carbons in total with no double bonds.


p-nitrophenyl phenyl phosphonate

An aryl phosphate resulting from the formal condensation of phosphonic acid with 1 mol eq. each of phenol and 4-nitrophenol.


ethyl N-benzoyl-L-tyrosinate

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


phosphatidylcholine 43:6

A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two phosphatidyl acyl groups contain a total of 43 carbons and 6 double bonds.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 38 carbons in total with 7 double bonds.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 40 carbons in total with 7 double bonds.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 40 carbons in total with 8 double bonds.


A racemate comprising equimolar amounts of D- and L-N-benzoylphenylalanine 2-naphthylamide.


A member of the class of N-(2-naphthyl)carboxamides that is N-(naphthalen-2-yl)-3-phenylpropanamide in which one of the hydrogens at position 2 has been replaced by a benzamido group.


An N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-L-phenylalanine with the amino group of 2-aminonaphthalene.


An N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-D-phenylalanine with the amino group of 2-aminonaphthalene.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 20 carbons in total with 5 double bonds.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 37 carbons in total with 4 double bonds.


N-benzoyl-DL-arginine 2-naphthylamide

A racemate comprising equimolar amounts of D- and L-N-benzoylarginine 2-naphthylamide.


A 1,2-diacyl-sn-glycero-3-phosphoethanolamine zwitterion in which the acyl groups at C-1 and C-2 contain 43 carbons in total with 6 double bonds.


sphingomyelin 12:0

A sphingomyelin in which the total number of carbons contained in the sphingoid base and fatty acyl groups is 12 with zero double bonds.


sphingomyelin 16:0

A sphingomyelin in which the total number of carbons contained in the sphingoid base and fatty acyl groups is 16 with zero double bonds.


sphingomyelin 22:0

A sphingomyelin in which the total number of carbons contained in the sphingoid base and fatty acyl groups is 22 with zero double bonds.


sphingomyelin 24:0

A sphingomyelin in which the total number of carbons contained in the sphingoid base and fatty acyl groups is 24 with zero double bonds.


sphingomyelin 24:1

A sphingomyelin in which the total number of carbons contained in the sphingoid base and fatty acyl groups is 24 with 1 double bond.


A member of the class of N-(2-naphthyl)carboxamides that is 5-carbamimidamido-N-(naphthalen-2-yl)pentanamide in which one of the hydrogens at position 2 has been replaced by a benzamido group.


SENECIONINE

A pyrrolizidine alkaloid isolated from the plant species of the genus Senecio.


phosphatidylserine 25:0(1-)

A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 25 carbons and are fully saturated.


N-benzoyl-D-arginine 2-naphthylamide

An N-{1-[(naphthalen-2-yl)amino]-1-oxo-3-phenylpropan-2-yl}benzamide that is the amide obtained by formal condensation of the carboxy group of N-benzoyl-D-arginine with the amino group of 2-naphthylamine.


phosphatidylserine 37:4(1-)

A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 37 carbons with 4 double bonds.


phosphatidylserine 43:6(1-)

A 3-sn-phosphatidyl-L-serine in which the two phosphatidyl acyl groups contain a total of 43 carbons with 6 double bonds.


A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.


An organic cation obtained by protonation of the secondary amino function of PD-153035.


A primary amino compound that is fluorescein carrying an amino substituent at C-5. Building block/intermediate for the synthesis of the fluorescent dye flourescein; also used to produce N-(fluorescein-5-yl)maleamic acid.


An organophosphate oxoanion obtained by deprotonation of the phospho and sulfo groups of 5'-phosphopyridoxal-6-azobenzene-2,4-disulfonic acid.


semaxanib

An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.


beta-ammoniopropionitrile

A primary ammonium ion obtained by protonation of the amino function of beta-aminopropionitrile.


Solvent yellow 56

An azobenzene that is N,N-diethylaniline substituted at position 4 by a phenylazo group.


orantinib

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


A nucleotide-sugar oxoanion that is the conjugate base of CMP-8-amino-3,8-dideoxy-alpha-D-manno-oct-2-ulosonic acid; major species at pH 7.3.


charcoal

A mixture that is the black porous residue, consisting of carbon and any remaining ash, obtained by pyrolysis of animal or vegetable matter in a limited supply of air.


laduviglusib

A member of the class of aminopyrimidines that is 2-aminopyrimidine substituted at positions N2, 5 and 6 by (5-cyanopyridin-2-yl)ethyl, 4-methylimidazol-2-yl and 2,4-dichlorophenyl groups respectively.


senegin II

A triterpenoid saponin isolated from Polygala senega var latifolia and has been shown to exhibit hypoglycemic activity.


A member of the class of maleimides carrying 3-chloro-4-hydroxyphenylamino and 2-nitrophenyl substituents at positions 3 and 4 respectively.


A member of the class of benzamides that is 4-(imidazol-2-yl)benzamide carrying additional 1,3-benzodioxol-5-yl and pyridin-2-yl substituents at positions 4 and 5 respectively on the imidazole ring.


An amino aldehyde that is 1,2,3,4-tetrahydroquinoline which is substituted at positions 2, 3, and 4 by formyl, methyl, and oxo groups, respectively.


An aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group.


name: rac-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester

description: A racemate comprising equal amounts of (R)- and (S)-1,2-di-O-dodecanylglycero-3-glutaric acid 6'-methylresorufin ester. A fluorescent substrate used to study lipase activity in vitro.


A nitrosamine that has butyl and 4-carboxybutyl substituents. It is the principal metabolite of the bladder carcinogen N-butyl-N-(4-hydroxybutyl)nitrosamine (BHBN-4).


A member of the class of benzaldehydes that is benzaldehyde carrying a dimethylamino substituent at position 4. Used as an indicator for detection of indoles and hydrazine.


An alpha-D-galactoside having a 4-methylumbelliferyl substituent at the anomeric position


4-methylumbelliferyl beta-D-galactoside

A beta-D-galactoside having a 4-methylumbelliferyl substituent at the anomeric position.


4-methylumbelliferyl beta-D-glucoside

A beta-D-glucoside having a 4-methylumbelliferyl substituent at the anomeric position.


A glycohexaosylceramide having N-acetyl-alpha-D-galactosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with d18:0 sphingoid base and undefined fatty acyl chain.


A glycopentaosylceramide having alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with d18:0 sphingoid base and undefined fatty acyl chain.


Sennoside A

A member of the class of sennosides that is rel-(9R,9'R)-9,9',10,10'-tetrahydro-9,9'-bianthracene-2,2'-dicarboxylic acid which is substituted by hydroxy groups at positions 4 and 4', by beta-D-glucopyranosyloxy groups at positions 5 and 5', and by oxo groups at positions 10 and 10'. The exact stereochemisty at positions 9 and 9' is not known - it may be R,R (as shown) or S,S.


4-methylumbelliferyl butyate

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


A glycotetraosylceramide having beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl component attached to the primary hydroxy function of a ceramide with d18:0 sphingoid base and undefined fatty acyl chain.


4-nitrophenyl alpha-D-glucoside

An alpha-D-glucoside that is beta-D-glucopyranose in which the anomeric hydroxy hydrogen is replaced by a 4-nitrophenyl group.


A pyrimidine 2'-deoxyribonucleoside 3'-monophosphate that is the mono-(5-bromo-4-chloro-indol-3-yl) ester of thymidine 3'-phosphate.


A glycosylglucopyranuronic acid consisting of alpha-D-xylosyl and D-glucuronic acid residues joined by a (1->3)-linkage. A repeating structure in glycoproteins.


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


An apo carotenoid sesquiterpenoid that is xanthoxin in which the double bonds at positions 2 and 4 have E (trans) configuration.


A glucosaminyl group derived from beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-D-GalNAc. The precursor to the Sda antigen, a pentasaccharide structure on N- and O-glycoproteins


A glycosyl group derived from beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-GalNAc-(1->3)D-Gal. The Sda antigen, present on N- and O-glycoproteins.


2-trans-(+)-abscisic aldehyde

An enal that is (+)-abscisic aldehyde in which the double bonds at position 2 and 4 have trans-configuration.


An 18-HETE in which the 18-hydroxy group has R-configuration.


prostaglandin H1

A member of the class of prostaglandins H that is prostaglandin H2 lacking the double bond at position 5.


L-erythrulose 4-phosphate

A ketotetrose phosphate that is L-erythrulose carrying a phosphono substituent at position O-4.


19-hydroxyprostaglandin H1

A prostaglandin H that consists of prostaglandin H1 bearing an additional hydroxy substituent at position 19.


A DiHETE that is (6E,8Z,12E,14Z)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 11R-positions.


A polyunsaturated fatty acid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosa-4,7,10,13,15,19-hexaenoic acid carrying a hydroxy substituent at the 17R-position.


A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15R-positions.


A 15-HEPE that consists of (5Z,8Z,11Z,13E,17Z)-icosapentaenoic acid in which the 15-hydroxy group has R-configuration.


An epoxycarotenol that beta-cryptoxanthin in which the 5,6-double bond has been epoxidised.


A 1-alkylglycero-3-phosphocholine in which the alkyl group is specified as octadecyl.


An amino tetrasaccharide consisting of alpha-D-GlcNAc-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNAc-(1->4)-beta-D-GlcA in which the hydrogen attached to the anomeric oxygen is replaced by a 4-nitrophenyl group.


A N-acylsphinganine-1-phosphocholine in which the acyl group specified is (15Z)-tetracosenoyl.


An amino tetrasaccharide consisting of alpha-D-GlcNS-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA in which the hydrogen attached to the anomeric oxygen is replaced by a 4-nitrophenyl group.


An amino nonasaccharide consisting of beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS-(1->4)-beta-D-GlcA-(1->4)-alpha-D-GlcNS(6S)-(1->4)-beta-D-GlcA in which the hydrogen attached to the anomeric oxygen is replaced by a 4-nitrophenyl group.


An amino tetrasaccharide comprising the sequence alpha-L-DeltaHexA(2S)-(1->4)-alpha-D-GlcNS(6S)-(1->4)-alpha-L-IdoA-(1->4)-alpha-D-GlcNS(6S).


Phe-Leu

A dipeptide obtained by formal condensation of the carboxy group of L-phenylalanine with the amino group of L-leucine.


A member of the class of beta-carbolines that is 1,2,3,4-tetrahydro-beta-carboline substituted at position 3 by a carboxy group.


8-(methylsulfinyl)octyl isothiocyanate

A member of the class of isothiocyanates that is octyl isothiocyanate in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.


A member of the class of aliphatic nitriles that is nonanenitrile in which one of the methyl hydrogens at position 9 has been replaced by a methylsulfinyl group.


A member of the class of aliphatic nitriles that is octanenitrile in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.


A primary amino compound that is heptylamine in which one of the methyl hydrogens at position 7 has been replaced by a methylsulfinyl group.


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.


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


A primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylsulfinyl group.


A primary amino compound that is octylamine in which one of the methyl hydrogens at position 8 has been replaced by a methylthio group.


An aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 4 has been replaced by a methoxy group.


An aminoalkylindole that is 3-(aminomethyl)indole in which the hydrogen at position 1 has been replaced by a methoxy group.


A heteroarenecarbaldehyde that is 4-hydroxyindole in which the hydrogen at position 3 has been replaced by a formyl group.


An indolyl carbohydrate that is indole-3-carboxylic acid in which the hydrogen at position 5 is replaced by a 6-O-malonyl-beta-D-glucosyloxy group.


An O-acylcarnitine in which the acyl group is specified as 2-octadecenoyl.


capsanthin 5,6-epoxide

A epoxycarotenol that is capsanthin in which the 5,6-double bond has been epoxidised.


A monohydroxybenzoic acid that is 2-hydroxybenzoic acid in which the hydrogen at position 3 is replaced by a beta-D-xylosyloxy group.


phosphatidylcholine 20:5

A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two phosphatidyl acyl groups contain a total of 20 carbons and 5 double bonds.


12-sulfooxy-9,10-dihydrojasmonic acid

A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methyl hydrogens at position 12 has been replaced by a sulfooxy group.


11-sulfooxy-9,10-dihydrojasmonic acid

A dihydrojasmonic acid that is 9,10-dihydrojasmonic acid in which one of the methylene hydrogens at position 11 has been replaced by a sulfooxy group.


phosphatidylethanolamine O-37:1

An alkyl,acyl-sn-glycero-3-phosphoethanolamine in which the alkyl or acyl groups at positions 1 and 2 contain a total of 37 carbons and 1 double bond.


guaiacylglycerol beta-coniferyl ether

A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a beta-coniferyl group.


hypusine(2+) residue

An alpha-amino-acid residue cation formed by protonation of the side-chain amino groups in the hypusine residue; major species at pH 7.3.


deoxyhypusine residue

An alpha-amino-acid residue formed from deoxyhypusine.


maltose 6'-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of maltose 6'-phosphate; major species at pH 7.3.


An organic cation obtained by protonation at position 3 in the oxazole ring of N-demethylindolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organic cation obtained by protonation at position 3 in the oxazole ring of indolmycin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


sermorelin

A 29 amino acid polypeptide that is used to treat growth problems (usually in children) due to growth hormone deficiency. It is the biologically active fragment of human growth hormone-releasing factor (GHRH).


A 2-oxo monocarboxylic acid anion that is the conjugate base of (R)-3-(indol-3-yl)-2-oxobutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


A dicarboxylic acid anion obtained by deprotonation of the carboxy and phosphino group of phosphinomethylmalic acid.


A guaiacyl lignin that is guaiacylglycerol in which the hydrogen on the 2-hydroxy function has been replaced by a 4-(1,2,3-trihydroxypropan-1-yl)-2,6-dimethoxyphenyl group.


dehydrodiconiferyl alcohol

A guaiacyl lignin obtained by cyclodimerisation of coniferol.


ZM 323881

A member of the class of quinazolines carrying 2-fluoro-4-methyl-5-hydroxyanilino and benzyloxy substituents at positions 4 and 7 respectively.


ZM 323881(1+)

An organic cation obtained by protonation of the secondary amino function of ZM 323881.


serpentine

An indole alkaloid that is 18-oxayohimban dehydrogenated at positions 3, 4, 5, 6, 16 and 17 and substituted by a methyl group at the 19alpha position and by a methoxycarbonyl group at position 16.


GS4012 free base

A member of the class of pyridines that is 2-(pyridin-4-yl)ethane-1-thiol in which the thiol hydrogen is replaced by a 4-methoxyphenyl group.


GS4012 free base(1+)

A pyridinium ion obtained by protonation of the pyridine nitrogen of GS4012 free base.


A racemate comprising equimolar amounts of (R)- and (S)-KI16425.


A member of the class of isoxazoles that is the carbamate ester obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)ethyl hydrogen carbonate with the amino group of 3-({[4-(4-amino-3-methyl-1,2-oxazol-5-yl)phenyl]methyl}sulfanyl)propanoic acid.


A 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid that is the (S)-enantiomer of KI16425.


A 3-[({4-[4-({[1-(2-chlorophenyl)ethoxy]carbonyl}amino)-3-methyl-1,2-oxazol-5-yl]phenyl}methyl)sulfanyl]propanoic acid that is the (R)-enantiomer of KI16425.


LY 364947

A member of the class of pyrazoles carrying pyridin-2-yl and quinolin-4-yl substituents at positions 3 and 4 respectively.


ficusequilignan A

A guaiacyl lignin that is medioresinol in which one of the phenolic hydrogens is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana.


A guaiacyl lignin that is scopoletin in which the phenolic hydrogen is replaced by a guaiacylglycerol group. It is found in Arabidopsis thaliana.


A guaiacyl lignin obtained by formal cyclocodensation between guaiacylglycerol and esculetin. It is found in Arabidopsis thaliana.


A pyranobenzodioxin obtained by formal cyclocodensation between syringylglycerol and esculetin. It is found in Arabidopsis thaliana.


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


A purine 2',3'-dideoxyribonucleoside in which the nucleobase component is specified as adenine.


glycosmisic acid

A guaiacyl lignin that is found in Arabidopsis thaliana.


WLL-vs

A dipeptide that is L-tryptophyl-L-leucinamide in which the N-terminal amino group has been converted to the corresponding (morpholin-4-yl)acetamide and in which one of the hydrogens attached to the nitrogen of the C-terminal amide has been replaced by a (1E)-5-methyl-1-(methylsulfonyl)hex-1-en-3-yl group. It is a selective proteasome inhibitor.


glycosmisic acid 4'-sulfate

A guaiacyl lignin that is glycosmisic acid in which the phenolic hydrogen is replaced by a sulfo group.


glycosmisic acid sulfate

A guaiacyl lignin that is glycosmisic acid in which the alcoholic hydrogen is replaced by a sulfo group.


A member of the class of pyrimidines carrying iodo and phenyl substituents at positions 4 and 6 respectively.


ODQ

A member of the class of oxadiazoloquinoxalines that is 1H-[1,2,4]oxadiazolo[4,3-a]quinoxaline substituted at position 1 by an oxo group.


oxadiazoloquinoxaline

An organic heterotricyclic compound that consists of an oxadiazole ring ortho-fused at any position to a quinoxaline ring system.


9,12,13-trihydroxyoctadec-10-enoic acid

A TriHOME that is octadec-10-enoic acid in which the three hydroxy substituents are located at positions 9, 12 and 13.


A octadecanoid that is (10E,15Z)-octadecadienoic acid carrying three hydroxy substituents at positions 9, 12 and 13.


A 1-O-acyl-sn-glycero-3-phosphocholine obtained by formal condensation of one of the carboxy groups of azelaic acid with the 1-hydroxy group of sn-glycero-3-phosphocholine.


sertindole

A phenylindole that is 1H-indole which is substituted on the nitrogen by a p-chlorophenyl group, at position 5 by chlorine, and at position 3 by a piperidin-4-yl group, which is itself substituted on the nitrogen by a 2-(2-oxoimidazolidin-1-yl)ethyl group.


A 2-acyl-sn-glycero-3-phosphocholine obtained by formal condensation of one of the carboxy groups of azelaic acid with the 1-hydroxy group of sn-glycero-3-phosphocholine.


A carotenoid ether that is spheroidene substituted at position 2 by a hydroxy group.


NEOCUPROINE

A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.


A carotenoid ether that is spheroidene carrying two hydroxy groups, both at position 2.


An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.


pentahomomethionine S-oxide

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


hexahomomethionine S-oxide

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


A carotenoid ether that is spirilloxanthin substituted at position 2 by a hydroxy group.


A carotenoid ether that is spirilloxanthin carrying two hydroxy groups, both at position 2.


A carotenoid ether that is spirilloxanthin substituted at positions 2  and 2' by oxo and hydroxy groups respectively.


sertraline

A member of the class of tetralins that is tetralin which is substituted at positions 1 and 4 by a methylamino and a 3,4-dichlorophenyl group, respectively (the S,S diastereoisomer). A selective serotonin-reuptake inhibitor (SSRI), it is administered orally as the hydrochloride salt as an antidepressant for the treatment of depression, obsessive-compulsive disorder, panic disorder and post-traumatic stress disorder.


A carotenoid ether that is spirilloxanthin carrying an oxo group at position 2 as well as two hydroxy group, both at position 2'.


piperaquine

An aminoquinoline that is 1,3-di(piperazin-1-yl)propane in which the nitrogen at position 4 of each of the piperazine moieties is replaced by a 7-chloroquinolin-4-yl group.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-amino-3-hydroxy-4-methylbenzoyl-AMP; the major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 17-(4-hydroxyphenyl)heptadecanoic acid; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 17-(4-hydroxyphenyl)heptadecanoyl-AMP; the major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 19-(4-hydroxyphenyl)nonadecanoyl-AMP; the major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 19-(4-hydroxyphenyl)nonadecanoic acid; major species at pH 7.3.


calcium ammonium nitrate

A mixture obtained by combining ammonium nitrate, calcium nitrate and water. It is widely used as a nitrogen fertilizer in agriculture.


valienol 1-phosphate(2-)

An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of valienol 1-phosphate; major species at pH 7.3.


An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups of GDP-valienol; major species at pH 7.3.


A organophosphonate oxoanion obtained by deprotonation of the carboxy and one of the ohopsphonate OH groups of phosphonoformic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).


An organophosphate oxoanion obtained by removal of three protons from CMP-5'-phosphonoformic acid; major species at pH 7.3.


disodium malate

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


An 11-HEPE that consists of (5Z,8Z,12E,14Z,17Z)-icosapentaenoic acid in which the hydroxy group is located at the 11R-position.


ROTUNDIFURAN

A labdane diterpenoid that is isolated from the fruits of Vitex rotundifolia.


VITETRIFOLIN D

A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L and Vitex negundo.


VITEXILACTONE

A labdane diterpenoid that is isolated from the fruits of Vitex trifolia L. and Vitex agnus-castus


A HPETE that consists of (6E,8Z,11Z,14Z)-icosatetraenoic acid in which the hydroperoxy group is located at position 5.


Trp-Leu-Leu

A tripeptide composed of L-tryptophan, L-leucine, and L-leucine joined by peptide linkages.


VITEAGNUSIN I

A labdane diterpenoid that is isolated from the fruits of Vitex agnus-castus.


A HPETE that consists of (5Z,8Z,11Z,13E)-icosatetraenoic acid in which the hydroperoxy group is located at position 15.


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


pyrrolysine

An N-acyl-amino acid that is lysine in which one of the amino nitrogens at position N6 is replaced by a 3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl group.


A polyunsaturated hydroxy fatty acid that consists of (7Z,10Z,14E,16Z,19Z)-docosapentaenoic acid bearing a single hydroxy substituent at the 13R-position.


A nitrosamine that has butyl and 4-hydroxybutyl substituents. In mice, it causes high-grade, invasive cancers in the urinary bladder, but not in any other tissues.


saintopin

A member of the class of tetracenequinones that is tetracene-5,12-dione in which the hydrogens at positions 1, 3, 8, 10, and 11 have been replaced by hydroxy groups. Isolated from Paecilomyces.


(GlcNAc)2 (Man)8

An intermediate glycan structure of glycosylated proteins


An amino trisaccharide consisting of two D-mannose residues, linked alpha(1->3), and an N-acetyl-D-glucosamine residue, linked alpha(1->4), at the reducing end. An intermediate glycan structure of glycosylated proteins


A branched amino tetrasaccharide comprised of an alpha-D-mannosyl residue linked (1->6) to the middle mannose of alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc. An intermediate glycan structure of glycosylated proteins.


A six-membered branched glucosamine oligosaccharide consisting of five D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins.


A nine-membered branched glucosamine oligosaccharide consisting of eight D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins.


A ten-membered branched glucosamine oligosaccharide consisting of nine D-mannosyl residues and one N-acetylglucosamine residue (the latter being located at the reducing end). An intermediate glycan structure of glycosylated proteins


A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15S-positions.


An icosanoid that is (6E,8Z,11Z,14Z,16E)-icosa-6,8,11,14,16-pentaenoic acid substituted at positions 5S and 18 by hydroperoxy and hydroxy groups respectively.


O-octenedioylcarnitine

An O-acylcarnitine obtained by formal condensation of one of the carboxy groups of any octenedioic acid with the hydroxy group of carnitine.


O-octadecadiendioylcarnitine

An O-acylcarnitine obtained by formal condensation of one of the carboxy groups of any  octadecadiendioic acid with the hydroxy group of carnitine.


An O-acylcarnitine in which the O-acyl group is specified as (3R,11Z,14Z)-3-hydroxyicosadienoyl.


A sialomonoglycosylceramide that consists of an alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal moiety attached via a glycosidic bond at position 1 of N-acylsphingosine.


An oxo fatty acid that consists of (4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying a single oxo substituent at position 14.


A hydroxy fatty acid anion that is the conjugate base of 12,18-dihydroxyoctadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


ricinoleate

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


lysophosphatidylethanolamine 18:2

A lysophosphatidylethanolamine in which the acyl group (position not specified) contains 18 carbons and 2 double bonds.


A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 16 carbons and is fully saturated.


A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 16 carbons and 1 double bond.


A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 18 carbons and is fully saturated.


sevoflurane

An ether compound having fluoromethyl and 1,1,1,3,3,3-hexafluoroisopropyl as the two alkyl groups.


A hydroxy fatty acid anion that is the conjugate base of (9Z,12R)-12,18-dihydroxyoctadecenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


An icosanoid anion that is the conjugate base of 5,20-di-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.


A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 18 carbons and 2 double bonds.


A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 20 carbons and 4 double bonds.


A 2-acyl-sn-glycero-3-phosphocholine in which the 2-acyl group contains 20 carbons and 5 double bonds.


A 1-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group contains 16 carbons and 1 double bond.


(20S,23)-dihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups  at positions 20 (with S-configuration) and 23.


(20S,23,24)-trihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups  at positions 20 (with S-configuration), 23 and 24.


(20S,23,25)-trihydroxyvitamin D3

A hydroxycalciol that consists of vitamin D3 (calciol) carrying additional hydroxy groups at positions 20 (with S-configuration), 23 and 25.


A 1-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group contains 18 carbons and 2 double bonds.


sexangularetin

A 7-hydroxyflavonol that is  kaempferol substituted by a methoxy group at position 8.


A 1-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group contains 20 carbons and 4 double bonds.


A 1-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group contains 20 carbons and 5 double bonds.


lysophosphatidylcholine 22:4

A lysophosphatidylcholine in which the acyl group (position not specified) contains 22 carbons and 4 double bonds.


A 1-acyl-sn-glycero-3-phosphocholine in which the 1-acyl group contains 18 carbons and is fully saturated.


2-methylbutanedioic acid

A dicarboxylic acid that is butanedioic acid substituted at position 2 by a methyl group.


(S)-methylsuccinic acid

A 2-methylbutanedioic acid in which the methyl group at position 2 has S-configuration.


(R)-methylsuccinic acid

A 2-methylbutanedioic acid in which the methyl group at position 2 has R-configuration.


phosphatidylethanolamine O-39:5

An alkyl,acyl-sn-glycero-3-phosphoethanolamine in which the alkyl or acyl groups at positions 1 and 2 contain a total of 39 carbons and 5 double bonds.


phosphatidylcholine O-33:2

An alkyl,acyl-sn-glycero-3-phosphocholine in which the alkyl or acyl groups at positions 1 and 2 contain a total of 33 carbons and 2 double bonds.


phosphatidylcholine 35:4

A 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at C-1 and C-2 contain 35 carbons in total with 4 double bonds.


A hydroxypolyether that is pentaethylene glycol in which one of the terminal hydrogens is replaced by a dodecyl group.


A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.


A pyridopyrimidine that is pyrido[2,3-d]pyrimidine which is substituted at positions 2 and 4 by (3S)-3-methylmorpholin-4-yl groups and at position 5 by a 3-(hydroxymethyl)-4-methoxyphenyl group. It is an mTOR complex 1/2 (mTORC1/2) dual inhibitor [mTOR = mammalian target of rapamycin].


A member of the class of quinazolines that is quinazoline substituted by {3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino and 3-(2-methoxyacetamido)prop-1-en-1-yl groups at positions 4 and 6, respectively.


barasertib-hQPA

A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.


A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively.


silandrin

A flavonolignan isolated from milk thistle, Silybum marianum, and has been shown to exhibit hepatoprotective activity.


A diazepinoindole that is 8-amino-4,5-dihydro-6H-[1,2]diazepino[4,5,6-cd]indol-6-one which is substituted at position 2 by a 1-methylpyrazol-4-yl group and in which the amino group at position 8 has undergone condensation with the carboxy group of (2R)-2-cyclohexylglycine to give the corresponding carboxamide. It is an inhibitor of checkpoint kinase 1 (Chk 1).


sildenafil

A pyrazolo[4,3-d]pyrimidin-7-one having a methyl substituent at the 1-position, a propyl substituent at the 3-position and a 2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl group at the 5-position.


A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties.


momelotinib

A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.


SILICRISTIN A

A flavonolignan isolated from Silybum marianum and has been shown to exhibit inhibitory activities against lipoxygenase and prostaglandin synthetase.


linifanib

A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 2-fluoro-5-methylphenyl group, while the other is substituted by a p-(3-amino-1H-indazol-4-yl)phenyl group. It is a potent, selective inhibitor of vascular endothelial growth factor and platelet-derived growth factor receptor tyrosine kinases.


A monocarboxylic acid anion that is the conjugate base of N-[2-methoxy-5-({[2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)phenyl]glycine, obtained by the deprotonation of the carboxy group. The major species at pH 7.3.


silibinin

A flavonolignan isolated from milk thistle, Silybum marianum, that has been shown to exhibit antioxidant and antineoplastic activities.


A sulfonamide resulting from the formal condensation of p-methoxybenzenesulfonic acid with the anilino nitrogen of 2-(aminomethyl)-N-(2-hydroxyethyl)aniline in which the hydrogens of the primary amino group have been replaced by methyl and p-chlorocinnamyl groups. KN-93 is a selective inhibitor of  Ca(2+)/calmodulin-dependent protein kinase II.


A member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase.


octamethyltrisiloxane

An organosiloxane that is trisiloxane in which all the hydrogens have been replaced by methyl groups.


name: 3-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxoethyl]hydrazo]-3-oxo-2-phenylpropanoic acid (phenylmethyl) ester


2,4-dihydroxyhept-2-enedioic acid

A heptenedioic acid having the C=C double bond at the 2,3-position and two hydroxy substituents at the 2- and 4-positions.


simvastatin

A member of the class of hexahydronaphthalenes that is lovastatin in which the 2-methylbutyrate ester moiety has been replaced by a 2,2-dimethylbutyrate ester group. It is used as a cholesterol-lowering and anti-cardiovascular disease drug.


name: 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester


name: 3-hydroxy-2-phenylpropanoic acid [(5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester


name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-(2-methoxyethyl) ester O5-(3-phenylprop-2-enyl) ester


name: 2-hydroxy-2-phenylacetic acid [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


name: 2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester


name: 7-hydroxyimino-1,7a-dihydrocyclopropa[b][1]benzopyran-1a-carboxylic acid ethyl ester


name: sulfuric acid [(13S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester


name: 4-amino-7-hydroxy-2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridine-3-carboxylic acid but-2-ynyl ester


SINENSETIN

A pentamethoxyflavone that is flavone substituted by methoxy groups at positions 5, 6, 7, 3' and 4' respectively.


name: acetic acid (3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) ester


name: benzoic acid [3,4-dibenzoyloxy-5-(2,4-dioxo-5-propan-2-yl-1-pyrimidinyl)-2-oxolanyl]methyl ester


name: N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl)methyl]carbamic acid (phenylmethyl) ester


An alkenylglucosinolate that is the conjugate base of sinigrin.


name: benzoic acid (17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) ester


name: 3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] ester


sirolimus

A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.


name: pentanoic acid [(13S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester


skatole

A methylindole carrying a methyl substituent at position 3. It is produced during the anoxic metabolism of L-tryptophan in the mammalian digestive tract.


slaframine

An indolizidine alkaloid that is octahydroindolizine substituted by an amino group at position 6 and an acetyloxy group at position 1.


A member of the class of indoles that is 6-chloro-5-fluoroindole in which the hydrogen attached to the nitrogen has been replaced by a 2-aminopropyl group.


name: (4S)-4-phenyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid [(3R)-1-azabicyclo[2.2.2]octan-3-yl] ester


RITODRINE

A secondary amino compound that is 4-(2-amino-1-hydroxypropyl)phenol in which one of the hydrogens attached to the nitrogen is replaced by a 2-(4-hydroxyphenyl)ethyl group.


name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid (2-oxo-1,2-diphenylethyl) ester


name: 2-[[2-[[2-(3,5-difluorophenyl)-1-oxoethyl]amino]-1-oxopropyl]amino]-2-phenylacetic acid tert-butyl ester


sojagol

A member of the class of  coumestans that is  coumestan substituted by a hydroxy group at position 3 and a 2,2-dimethylpyran group across positions 9 and 10.


name: 2-(4-bromophenyl)propanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester


name: 2-hydroxy-2-phenylacetic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


name: acetic acid [(1S)-1-hydroxy-1,10a,12a-trimethyl-8-oxo-2,3,4,4a,4b,5,6,9,10,10b,11,12-dodecahydrochrysen-2-yl] ester


name: 2-cyano-2-[3-(4-ethyl-1-piperazinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester


name: (2S)-3-hydroxy-2-phenylpropanoic acid [(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


solanine

A glycoalkaloid poison found in species of the nightshade family (Solanaceae), such as the potato (Solanum tuberosum). It is a trisccharide derivative of solanidine [(22beta)-solanid-5-en-3beta-ol].


name: 3H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


solasodine

An oxaspiro compound and steroid alkaloid sapogenin with formula C27H43NO2 found in the Solanum (nightshade) family. It is used as a precursor in the synthesis of complex steroidal compounds such as contraceptive pills.


name: 2-[4-[(2R)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxo-1-piperidinyl]acetic acid ethyl ester


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


SOLAVETIVONE

A cyclic ketone derived from spiro[4.5]dec-6-en-8-one by substitution of hydrogens by methyl groups at positions 6 and 10, and by an isopropenyl group at position 2 (the (2R,5S,10R)-diastereoisomer).


name: 3,5-dimethylbenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester


name: 3,5-dichlorobenzoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester


name: (1S,15R,18S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester


name: 4,5-dioxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic acid ethyl ester


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


sophoranone

A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 7 and 4' and prenyl groups at positions 3' and 5' respectively.


(-)-hygrine

A 1-(1-methylpyrrolidin-2-yl)acetone that has S configuration.


A dinitrotoluene in which the methyl group is ortho to one of the nitro groups and para to the other. It is the most common isomer of dinitrotoluene.


SORAPHEN A

A macrolide and an agent highly effective against plant-pathogenic fungi. It was extensively researched for agricultural use until it was discovered to be a teratogen.


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


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


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


name: 1-(4-chlorophenyl)-5-[[[methylamino(sulfanylidene)methyl]hydrazinylidene]methyl]-4-pyrazolecarboxylic acid methyl ester


name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester


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


SOYASAPOGENOL B

A pentacyclic triterpenoid that is oleanane containing a double bond between positions 12 and 13 and substituted by hydroxy groups at the 3beta, 22beta and 24-positions.


SOYASAPONIN I

A triterpenoid saponin that is composed of soyasapogenol B having an alpha-L-rhamnopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid moiety attached at the 3-position via a glycosidic linkage.


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


spectinomycin

A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis.


rhaponticin

A stilbenoid that is rhapontigenin substituted at position 3 by a beta-D-glucosyl group.


lasalocid

A polyether antibiotic used for prevention and treatment of coccidiosis in poultry.


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


name: 2-cyano-3-(3,4-dihydroxyphenyl)-2-propenoic acid 3-phenylprop-2-enyl ester


name: N-[[1H-benzimidazol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester


A nitrile that is acrylonitrile in which the hydrogen attached to the same carbon as the cyano group has been replaced by an o-(trifluoromethyl)phenyl group, while the remaining hydrogens of the ethenyl group have been replaced by amino and (4-aminophenyl)sulfanyl groups. The configuration of the double bond is not specified. It is an inhibitor of MEK1 and MEK2.


name: 1-adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester


name: N-[(2S)-3-(4-benzoylphenyl)-1-oxo-1-(prop-2-ynylamino)propan-2-yl]carbamic acid tert-butyl ester


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


LY 165,163

A N-arylpiperazine that is piperazine substituted by 2-(4-aminophenyl)ethyl and 3-(trifluoromethyl)phenyl groups at positions 1 and 4, respectively. It is a selective 5-HT1A serotonin receptor agonist and 5-HT1D serotonin receptor antagonist.


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


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


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


name: benzoic acid [5-amino-1-(4-methoxyphenyl)sulfonyl-3-pyrazolyl] ester


SPINOSYN A

A spinosyn in which the sugar amino and hydroxy groups are globally methylated. One of the two active ingredients of spinosad.


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


name: carbamimidothioic acid 2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl ester


SPINOSYN D

A spinosyn in which the sugar amino and hydroxy groups are globally methylated with an additional methyl substituent attached to the tetracyclic skeleton. One of the two active ingredients of spinosad.


spiperone

An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.


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


A member of the class of oxindoles that is 3-methyleneoxindole in which one of the hydrogens of the methylene group has been replaced by a p-(dimethylamino)phenyl group.  SU 4312 is a vascular endothelial growth factor (VEGF) receptor protein tyrosine kinase 1/2 and platelet derived growth factor (PDGF) receptor inhibitor. It also inhibits the neuronal nitric oxide synthase (NOS) and exhibits neuroprotection against NO-mediated neurotoxicity.


name: (3S)-4-oxo-3-propan-2-yl-3-(3-thiophenyl)diazetidine-1,2-dicarboxylic acid dimethyl ester


xylazine

A methyl benzene that is 1,3-dimethylbenzene which is substituted by a 5,6-dihydro-4H-1,3-thiazin-2-ylnitrilo group at position 2. It is an alpha2 adrenergic receptor agonist and frequently used in veterinary medicine as an emetic and sedative with analgesic and muscle relaxant properties.


name: 5-[4-[(2-methyl-4-thiazolyl)methylamino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester


A diamine that is ethane-1,2-diamine in which both amino groups are substituted by diphenylmethyl groups. It is an allosteric agonist of the metabotropic glutamate receptor 7 (mGluR7).


spironolactone

A  steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7.


SPIROXAMINE

The spiroketal resulting from the formal condensation of 4-tert-butylcyclohexanone with 3-[ethyl(propyl)amino]propane-1,2-diol. An inhibitor of ergosterol synthesis, it is a broad spectrum agricultural fungicide used particularly against powdery mildew in the production of cereals, bananas and grapes.


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


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


sporidesmin A

An organic heteropentacyclic compound that has formula C18H20ClN3O6S2, produced by the saprophyte fungus Pithomyces chartarum. It is a mycotoxin responsible for the hepatogenous photosensitisation disease facial eczema in ruminants.


name: N-[2-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]carbamic acid tert-butyl ester


name: 4-[2-[[(4-fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester


name: N-[(5-nitro-2-furanyl)methylideneamino]carbamic acid methyl ester


name: 4-fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]butyl ester


name: (3S)-3-(4-methoxyphenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester


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


name: 2-[[4-(4-fluorophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]acetic acid ethyl ester


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


name: 4-[2-[[(3-fluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester


name: acetic acid [5-acetyloxy-3-(4-methoxyphenyl)-4-oxo-1-benzopyran-7-yl] ester


stanozolol

An organic heteropentacyclic compound resulting from the formal condensation of the 3-keto-aldehyde moiety of oxymetholone with hydrazine. Like oxymetholone, it is a synthetic anabolic steroid. It has both anabolic and androgenic properties, and has been used to treat hereditary angioedema and various vascular disorders. It has also been widely abused by professional athletes.


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


name: 1-(4-nitrophenyl)-1-cyclopentanecarboxylic acid 2-(diethylamino)ethyl ester


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


ketotifen

An organic heterotricyclic compound that is 4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one which is substituted at position 4 by a 1-methylpiperidin-4-ylidene group. A blocker of histamine H1 receptors with a stabilising action on mast cells, it is used (usually as its hydrogen fumarate salt) for the treatment of asthma, where it may take several weeks to exert its full effect.


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


name: 2-hydroxy-4-methoxy-6-methylbenzoic acid methyl ester


name: 2-oxo-1,4-dihydroquinazoline-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


name: 2-[3-phenyl-7-(trifluoromethyl)-1-indazolyl]acetic acid methyl ester


name: 2-[[(2-chlorophenyl)-oxomethyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester


name: 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(4-chlorophenyl)-4-pyrazolecarboxylic acid methyl ester


name: 3-[3-[[cyclohexyl(oxo)methyl]-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]amino]phenyl]-2-propenoic acid methyl ester


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


name: (3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester


sterculic acid

A long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group.


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


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


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


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


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


name: 2-[8-(2-naphthalenylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid methyl ester


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


name: 4-[(2,5-dihydroxyphenyl)methylamino]benzoic acid methyl ester


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


kenpaullone

An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).


name: acetic acid [2-[(2,5-dimethoxyanilino)-oxomethyl]phenyl] ester


etamivan

Phenol substituted at C-2 and C-4 by a methoxy group and an N,N-diethylaminocarbonyl group respectively. A respiratory stimulant drug related to nikethamide, it has now fallen largely into disuse.


stevioside

A diterpene glycoside that is rubusoside in which the hydroxy group at position 2 of the allylic beta-D-glucoside has been converted to the corresponding beta-D-glucoside. It is a natural herbal sweetener that is 250-300 times sweeter than sucrose (though with a bitter aftertaste), extracted from the Stevia rebaudiana plant native to South America.


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


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


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


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


A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4.


A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.


streptamine 5-phosphate

a scyllo-inositol phosphate compound having a phosphate group in the 5-position and amino groups in place of hydroxy groups in the 1- and 3-positions.


name: 2-[[(2-chlorophenyl)-oxomethyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester


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


name: 4-(2-benzamidoethylamino)-1-piperidinecarboxylic acid ethyl ester


streptobiosamine

An amino disaccharide that is a 2-deoxy-2-(methylamino)-alpha-L-glucopyranose ring joined to a L-lyxose with a formyl substituent at position 3.


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


dilazep

A member of the class of diazepanes that is 1,4-diazepane substituted by 3-[(3,4,5-trimethoxybenzoyl)oxy]propyl groups at positions 1 and 4. It is a potent adenosine uptake inhibitor that exhibits antiplatelet, antianginal and vasodilator properties.


PD 158780

A pyridopyrimidine that is pyrido[3,4-d]pyrimidine-4,6-diamine in which the amino groups at positions 4 and 6 are substituted by a m-bromophenyl group and a methyl group, respectively.  It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity [IC50 values of 0.008, 49 and 52 nM for EGFR, ErbB2 (HER2) and Erb4 (HER4)]. It does not inhibit FGF or PDGF-mediated tyrosine phosphorylation. Induces G1 cell cycle arrest in MCF10A cells and is antiproliferative in A431 human epidermal carcinoma cells.


name: 9H-pyrido[3,4-b]indole-3-carboxylic acid ethyl ester


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


STREPTONIGRIN

Complex cytotoxic antibiotic obtained from Streptomyces flocculus or S. rufochronmogenus. It is used in advanced carcinoma and causes leukopenia.


streptozocin

An N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals.


Ro 25-6981

A member of the class of piperidines that is 4-benzylpiperidine substituted by a 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpropyl group at position 1 (the 1R,2S-stereoisomer). It is a potent antagonist of the GluN2B subunit of the N-methyl-D-aspartate (NMDA) receptor.


A ribose 5-triphosphate compound having a 2,5-diamino-6-oxo-1,6-dihydropyrimidin-4-ylamino substituent at the 1-position.


STRIGOL

A strigolactone in which the tricyclic lactone moiety bears a hydroxy substitutuent at the position para to the gem-dimethyl group.


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


strobopinin

A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and a methyl group at position 6 respectively.


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


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


name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester


OCTANEDIOATE

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


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


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


name: N-[1-[4-(4-bromophenyl)-2-thiazolyl]-4-piperidinyl]carbamic acid tert-butyl ester


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


name: 2-[1H-indol-3-yl(oxo)methyl]-4-thiazolecarboxylic acid methyl ester


succinimide

A dicarboximide that is pyrrolidine which is substituted by oxo groups at positions 2 and 5.


name: 8,10-dichloro-3,9-dimethoxy-1,4,7-trimethyl-6-oxo-2-benzo[b][1,4]benzodioxepincarboxylic acid methyl ester


name: (3S)-3-(2-methylpropyl)-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester


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


name: acetic acid [4-(1-acetyl-3,6-dihydro-2H-pyridin-4-yl)-2-methoxyphenyl] ester


name: METHYL 7-DESOXYPURPUROGALLIN-7-CARBOXYLATE TRIMETHYL ETHER


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


name: acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester


sufentanil

An anilide resulting from the formal condensation of the aryl amino group of 4-(methoxymethyl)-N-phenyl-1-[2-(2-thienyl)ethyl]piperidin-4-amine with propanoic acid.


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


name: acetic acid [2-[anilino(oxo)methyl]phenyl] ester


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


name: 4-[2-[[(3,4-difluorophenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester


sulbenicillin

A penicillin antibiotic having a 6beta-[phenyl(sulfo)acetamido] side-chain.


name: 2-cyano-3-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)methyl]propanoic acid ethyl ester


sulconazole

A racemate comprising equimolar amounts of (R)- and (S)-sulconazole. An antifungal agent with activity against Candida species, it is used (generally as the nitrate salt) for the topical treatment of fungal skin infections.


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


name: 3-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-2-thiophenecarboxylic acid methyl ester


sulfadiazine

A sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position.


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


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


sulfadoxine

A sulfonamide consisting of pyrimidine having methoxy substituents at the 5- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. In combination with the antiprotozoal pyrimethamine (CHEBI:8673) it is used as an antimalarial.


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


A hydroxamic acid that is N-hydroxy-D-valinamide in which the alpha-amino group has been substituted by isopropoxy and [biphenyl]-4-ylsulfonyl groups. A selective matrix metalloproteinase-2 (MMP-2) inhibitor, it is one of the most potent inducers of autophagy. Its physiological roles include angiogenesis, cancer metastasis, embryogenesis, tissue remodeling in development, and wound healing.


name: N-[[1H-indol-2-yl(oxo)methyl]amino]carbamic acid (phenylmethyl) ester


SULFAMATE

The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.


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


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


sulfamethizole

A sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2.


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


sulfamethoxazole

An isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position.


sulfasalazine

An azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the 4'-position.


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


phthalylsulfathiazole

A sulfonamide incorporating 2-carboxybenzamido and 1,3-thiazol-2-yl moieties that is a broad-spectrum antibiotic indicated in the treatment of dysentery, colitis, gastroenteritis and intestinal surgery.


sulfathiazole

A 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position.


name: (3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester


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


name: 2-[[(4-fluorophenyl)-oxomethyl]amino]benzoic acid methyl ester


SULFENTRAZONE

A member of the class of triazoles that is 5-oxo-1,2,4-triazole which is substituted at positions 1, 3, and 4 by 2,4-dichloro-5-[(methylsulfonyl)amino]phenyl, methyl, and difluoromethyl groups, respectively. A protoporphyrinogen oxidase inhibitor, it is used as a herbicide to control broad-leaved weeds in soya and tobacco crops. Not approved for use within the European Union.


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


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


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


name: 3-[4-oxo-5-(phenylmethylene)-2-sulfanylidene-3-thiazolidinyl]propanoic acid butyl ester


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


sulfoglycolithocholic acid

The 3-O-sulfo derivative of glycolithocholic acid.


A C-nitro compound that is benzene substituted by N,N-dimethylaminosulfonyl, methyl and nitro groups at positions 1, 2 and 5, respectively. It is a phosphodiesterase inhibitor selective for the PDE7 subtype (Ki = 180 nM).


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


SULFOMETURON METHYL

A benzoate ester that is the methyl ester of 2-{[(4,6-dimethylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoic acid.


name: 9H-pyrido[3,4-b]indole-3-carboxylic acid propyl ester


name: 4-oxo-2-(trifluoromethyl)-1H-thieno[3,4-b]pyridine-7-carboxylic acid methyl ester


name: 1-[2-[[(2,3-dihydro-1H-inden-5-ylamino)-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester


name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-N-methylcarbamic acid tert-butyl ester


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


sulindac

A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.


name: acetic acid [2-[[(6,6-dimethoxy-3-oxo-1-cyclohexa-1,4-dienyl)amino]-oxomethyl]phenyl] ester


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


name: 3-(2,5-dihydroxyphenyl)-2-propenoic acid methyl ester


name: 2-[[4-(2-thiophen-2-yl-4-quinazolinyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester


name: 5-[[[anilino(sulfanylidene)methyl]hydrazinylidene]methyl]-1-(2,4-difluorophenyl)-4-pyrazolecarboxylic acid methyl ester


name: 6-fluoro-3-pyridinecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


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


name: (3S)-3-(4-chlorophenyl)-4-oxo-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester


name: 1-[2-[[[4-(dimethylamino)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester


name: 5-[4-[methyl-[(3-methyl-2-thiophenyl)methyl]amino]-6-quinazolinyl]-2-furancarboxylic acid ethyl ester


name: 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)-4-methyl-4-hexenoic acid 2-(4-morpholinyl)ethyl ester


suprofen

An aromatic ketone that is thiophene substituted at C-2 by a 4-(1-carboxyethyl)benzoyl group.


name: (3S)-4-oxo-3-phenyl-3-propan-2-yldiazetidine-1,2-dicarboxylic acid dimethyl ester


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


TRIDOLGOSIR

An indolizidine alkaloid isolated from the plant Swainsona canescens with three hydroxy substituents at positions 1, 2 and 8.


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


swerchirin

A member of the class of xanthones that is the 5-O-methyl derivative of  bellidifolin. Isolated from Centaurium erythraea and Swertia chirayita, it exhibits hypoglycemic activity.


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


swertiajaponin

A  flavone C-glycoside that is  isoorientin in which the hydroxy group at position 7 is replaced by a methoxy group.


GENTIAKOCHIANIN

A member of the class of  xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 2 and 8 and a methoxy group at position 6. It has been isolated from various species of the genus Swertia and has been found to exhibit antioxidant activities.


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


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


name: 4-[[(4-oxo-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester


symphytine

A but-2-enoate ester obtained by formal condensation of the carboxy group of (2E)-2-methylbut-2-enoic acid with the 1-hydroxy group of (1R,7aR)-7-({[(2S,3S)-2,3-dihydroxy-2-isopropylbutanoyl]oxy}methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-ol.


An N-alkylpiperazine that is butane which is substituted by a 3,5-dioxopiperazin-1-yl group at positions 2 and 3. The meso isomer.


name: sulfamic acid [4-[4-(2,3-dihydro-1H-inden-1-ylamino)-7-pyrrolo[2,3-d]pyrimidinyl]-2-hydroxycyclopentyl]methyl ester


SYRINGIN

A monosaccharide derivative that is trans-sinapyl alcohol attached to a beta-D-glucopyranosyl residue at position 1 via a glycosidic linkage.


T-2 TOXIN

A trichothecene mycotoxin produced by fungi of the genus Fusarium. It is a common contaminant in food and feedstuffs of cereal origin and is known to cause a range of toxic effects in humans and animals.


name: 2-amino-5-oxo-4-phenyl-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carboxylic acid methyl ester


name: 2-hydroxy-2-phenylacetic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester


name: 2-thiophenecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-2-phenyl-7-isoquinolinyl] ester


name: 7-(4-chlorophenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester


talampicillin

A penicillanic acid ester that is the 1-phthalidyl ester of ampicillin. It is a prodrug of ampicillin.


name: N-[4-methyl-1-oxo-1-(1-oxohexan-2-ylamino)pentan-2-yl]carbamic acid (phenylmethyl) ester


name: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetic acid (4-chlorophenyl) ester


name: 2-(2-methoxy-2-oxoethyl)-3-oxo-1-piperazinecarboxylic acid tert-butyl ester


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


name: 2-[[5-[(4-chlorophenyl)methylidene]-4-oxo-2-thiazolyl]thio]acetic acid ethyl ester


A bromohydrocarbon that is cyclohexane in which the hydrogen at positions 1,2,3,4,5 and 6 have been replaced by bromo groups. It is a potent inhibitor of JAK2 tyrosine kinase autophosphorylation.


SMER 28

A member of the class of quinazolines that is quinazoline which is substituted by a prop-2-en-1-ylnitrilo group and a bromo group at positions 4 and 6, respectively. It is a modulator of mammalian autophagy.


TAMBULIN

A member of the class of  flavonols that is  flavonol substituted by an additional hydroxy group at position 5 and methoxy groups at positions 7, 8 and 4' respectively.


name: (4S)-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester


name: 2-ethoxybenzoic acid [5-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-3-pyrazolyl] ester


tamsulosin

A 5-(2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl)-2-methoxybenzenesulfonamide that has (R)-configuration. A specific alpha1 adrenoceptor antagonist used (generally as its hydrochloride salt, tamsulosin hydrochloride) in the treatment of prostatic hyperplasia, chronic prostatitis, urinary retention, and help with the passage of kidney stones.


name: 6,11-dioxo-12-naphtho[2,3-b]indolizinecarboxylic acid ethyl ester


TANGERETIN

A pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8.


taraxasterol

A pentacyclic triterpenoid that is taraxastane with a beta-hydroxy group at position 3.


name: 6-(4-chlorophenyl)-3-cyano-2-oxo-1H-pyridine-4-carboxylic acid ethyl ester


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


name: 2-(1H-benzimidazol-2-ylthio)acetic acid methyl ester


TARAXEROL

A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15.


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


name: 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)thio]propanoic acid ethyl ester


A member of the class of quinazolines that is quinazoline which is substituted by a chloro group and a dipropylnitrilo group at positions 2 and 4, respectively.


PHENOXAZINE

A member of the class of phenoxazines that is morpholine which is ortho-fused to two benzene rings at positions 2-3 and 5-6.


name: 3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanoic acid ethyl ester


name: 3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester


name: 2-amino-1-cyclohexyl-3-pyrrolo[3,2-b]quinoxalinecarboxylic acid ethyl ester


taurochenodeoxycholate

An organosulfonate oxoanion that is the conjugate base of taurochenodeoxycholic acid arising from deprotonation of the sulfonate OH group; major species at pH 7.3.


name: 2-(9-ethyl-6-indolo[3,2-b]quinoxalinyl)acetic acid methyl ester


name: 5-oxo-3-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid ethyl ester


TAURODEOXYCHOLIC ACID

A bile acid taurine conjugate of deoxycholic acid.


name: 2-[[anilino(sulfanylidene)methyl]amino]-4,5,6,7-tetrahydro-3H-indene-1-carboxylic acid ethyl ester


name: 2,5-dimethoxybenzenesulfonic acid (1,3-dioxo-2-isoindolyl) ester


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


(+)-taxifolin 3-O-acetate

An acetate ester obtained by formal condensation between the 3-hydroxy group of (+)-taxifolin and acetic acid.


tubastatin A

A pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold).


givinostat

A member of the class of naphthalenes that is naphthalene substituted by ({[4-(hydroxycarbamoyl)phenyl]carbamoyl}oxy)methyl and (diethylamino)methyl groups at positions 2 and 6, respectively. It is a histone deacetylase inhibitor indicated for individuals diagnosed with Duchenne muscular dystrophy.


name: 2-furancarboxylic acid [3-[[[4-anilino-6-(4-morpholinyl)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl] ester


name: 2-[[1-acetyl-5-oxo-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylidene]-2-imidazolyl]thio]acetic acid ethyl ester


name: 4-(4-morpholinyl)-3-nitrobenzoic acid 2-[3-(cyanomethyl)-4-methyl-5-thiazol-3-iumyl]ethyl ester


A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by pyridin-4-yl and (3-fluorophenyl)nitrilo groups, respectively.


tazobactam

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


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


name: 2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)thio]acetic acid propan-2-yl ester


name: 1-[1-naphthalenyl(oxo)methyl]-3-indolecarboxylic acid methyl ester


name: N-[3-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]phenyl]carbamic acid ethyl ester


TECHTOCHRYSIN

A monohydroxyflavone that is  flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively.


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


TECTOQUINONE

An anthraquinone that is 9,10-anthraquinone in which the hydrogen at position 2 is substituted by a methyl group.


TECTORIDIN

A glycosyloxyisoflavone that is  tectorigenin substituted by a beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.


ERASTIN

A member of the class of quinazolines that is quinazolin-4(3H)-one in which the hydrogens at positions 2 and 3 are replaced by 1-{4-[(4-chlorophenoxy)acetyl]piperazin-1-yl}ethyl and 2-ethoxyphenyl groups, respectively. It is an inhibitor of voltage-dependent anion-selective channels (VDAC2 and VDAC3) and a potent ferroptosis inducer.


BUTHIONINE SULFOXIME

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


tectorigenin

A methoxyisoflavone that is  isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively.


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


DICHLOBENIL

A nitrile that is benzonitrile which is substituted by chlorines at positions 2 and 6. A cellulose synthesis inhibitor, it is used as a pre-emergent and early post-emergent herbicide.


tefluthrin

A racemate comprising equimolar amounts of (Z)-(1R)-cis-tefluthrin and (Z)-(1S)-cis-tefluthrin.


name: 4,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1-xanthenecarboxylic acid methyl ester


name: 1-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid methyl ester


name: 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-1-benzopyran-3-carboxylic acid ethyl ester


telmisartan

A member of the class of  benzimidazoles  used widely in the treatment of hypertension.


name: 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester


name: N-methylcarbamic acid [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester


name: 7-[(1R,2R,3R)-3-hydroxy-2-(4-hydroxy-4-methyloct-1-enyl)-5-oxocyclopentyl]heptanoic acid methyl ester


mephenesin

A glycerol ether in which a single 2-methylphenyl group is attached at position 1 of glycerol via an ether linkage.


tenuazonic acid

A member of the class of pyrrolidin-2-ones that is 5-(butan-2-yl)pyrrolidine-2,4-dione carrying an additional acetyl group at position 3. A mycotoxin produced by various plant pathogenic fungi.


TEPHROSIN

A member of the class of rotenones that is 13,13a-dihydro-3H-chromeno[3,4-b]pyrano[2,3-h]chromen-7(7aH)-one substituted with geminal methyl groups at position 3, hydroxy group at position 7a and methoxy groups at positions 9 and 10 (the 7aR,13aR stereoisomer). It is isolated from the leaves and twigs of Antheroporum pierrei and exhibits antineoplastic and pesticidal activities.


tephrowatsin A

A hydroxyflavan that is  (2S)-flavan substituted by hydroxy group at position 4, methoxy groups at positions 5 and 7 and a prenyl group at position 8 respectively.


name: 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester


name: 2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-(2-methylpropyl) ester


dilevalol

A 2-hydroxy-5-{1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl}benzamide that has 1R,2R-configuration.


terbinafine

A tertiary amine that is N-methyl-1-naphthalenemethylamine in which the amino hydrogen is replaced by a 3-(tertbutylethynyl)allyl group. An antifungal agent administered orally (generally as the hydrochloride salt) for the treatment of skin and nail infections.


terbutaline

A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.


A  quinone imine that is indophenol substituted by chloro groups at positions 2 and 6.


name: 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoic acid propan-2-yl ester


N-methylparoxetine

A member of the class of benzodioxoles that is paroxetine in which the piperidine hydrogen is substituted by a methyl group. It is a drug impurity of the antidepressant, paroxetine.


SEPANTRONIUM

An organic cation that is 1-(2-methoxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione in which the nitrogen at position 3 of the napthoimidazole moiety has been alkylated by a pyrazin-2-ylmethyl group.


benzydamine

A member of the class of indazoles carrying benzyl and 3-(dimethylamino)propyl groups at positions 1 and 3 respectively. A locally-acting nonsteroidal anti-inflammatory drug that also exhibits local anaesthetic and analgesic properties.


TERPINOLENE

A p-menthadiene with double bonds at positions 1 and 4(8).


name: nitric acid [(3S,3aR,6R,6aS)-3-nitrooxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] ester


name: 9-(4-methoxy-2,3,6-trimethylphenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid ethyl ester


name: (2R)-2-amino-3-(3,7,11-trimethyldodeca-2,6,10-trienylthio)propanoic acid methyl ester


name: (2S)-3-hydroxy-2-phenylpropanoic acid [(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


sulfaguanidine

A sulfonamide incorporating a guanidine moiety used to block the synthesis of folic acid; mostly used in veterinary medicine


An organic heterobicyclic compound that is (1S,5R)-2-thiabicyclo[3.1.0]hexane carrying oxo, oxo, amino, carboxy, and carboxy groups at positions 2, 2, 4S, 4S, and 6S, respectively. It is a potent agonist of group II metabotropic glutamate receptors mGluR2 mGluR3 (Ki = 149 nM and 92 nM, respectively) and exhibits antipsychotic and anxiolytic efficacy in animal models.


name: 1H-indole-3-carboxylic acid [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester


name: 2-methylpropanethioic acid S-[7-oxo-7-[(4-phenyl-2-thiazolyl)amino]heptyl] ester


sulfabenzamide

A sulfonamide containing a benzamido substituent on nitrogen. An antibacterial/antimicrobial, it is often used in conjunction with sulfathiazole and sulfacetamide as a topical, intravaginal antibacterial preparation.


tetracaine

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


orlistat

A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug.


name: acetic acid [3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester


doxofylline

An oxopurine that is a derivative of xanthine, methylated at N-1 and N-3 and carrying a 1,3-dioxolan-2-ylmethyl group at N-7, used in the treatment of asthma.


name: sulfuric acid [(8R,9R,13S,14R)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] ester


tetrachlorosalicylanilide

A salicylanilide derivative where the hydrogens at positions 2, 3, 4 and 5 are substituted by chlorine.


name: N-[(1-hydroxy-4-oxido-2-quinoxalin-4-iumylidene)methylimino]carbamic acid methyl ester


methyldopate

The ethyl ester of alpha-methyl-L-dopa.


name: acetic acid [(2S,3R,4R)-4-hydroxy-2-[(4-methoxyphenyl)methyl]-3-pyrrolidinyl] ester


TETRAHYDROALSTONINE

A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species.


name: 3-[[2-[4-(2-adamantyl)phenoxy]-1-oxoethyl]amino]-4-hydroxybenzoic acid methyl ester


name: 3-hydroxy-2-phenylpropanoic acid [(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester


TETRAHYMANOL

A pentacyclic triterpenoid having a 3beta- (21alpha-) hydroxy-substituted gammacerane structure.


thiram

An organic disulfide that results from the formal oxidative dimerisation of N,N-dimethyldithiocarbamic acid. It is widely used as a fungicidal seed treatment.


tetraneurin E

A sesquiterpene lactone that is a (3aS,9bS)-3-methylidenedecahydroazuleno[4,5-b]furan-2(3H)-one heterotricyclic ring system with a hydroxymethyl, hydroxy, acetate, and methyl group substituents at positions 6, 6a, 9, and 9a respectively.


tetraphenylarsonium

An arsonium ion consisting of four phenyl groups attached to a central arsonium.


name: 2-[2-chloro-6-ethoxy-4-[(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenoxy]acetic acid methyl ester


tetrodotoxin

A quinazoline alkaloid that is a marine toxin isolated from fish such as puffer fish. It has been shown to exhibit potential neutotoxicity due to its ability to block voltage-gated sodium channels.


pracinostat

A hydroxamic acid that is N-hydroxyacrylamide which is substituted at position 3 by a 2-butyl-1-[2-(diethylamino)ethyl]-1H-benzimidazol-5-yl group (the E isomer). An orally available pan-histone deacetylase inhibitor with demonstrated activity in the treatment of advanced solid tumours.


A member of the class of quinazolines that is quinazoline substituted by cyclohexyl, [1-(propan-2-yl)piperidin-4-yl]amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It inhibits G9a and GLP histone methyltransferase activity (IC50 = <15 nM and <20 nM, respectively).