EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:128686 - (1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:128686
ChEBI Name(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC29H29FN4O5S
Net Charge0
Average Mass564.639
Monoisotopic Mass564.18427
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C29H29FN4O5S/c1-18-3-10-22(11-4-18)40(37,38)33-15-29(16-33)17-34(28(36)31-20-7-5-19(30)6-8-20)25(14-35)27-26(29)23-12-9-21(39-2)13-24(23)32-27/h3-13,25,32,35H,14-17H2,1-2H3,(H,31,36)/t25-/m1/s1
InChIKeyONXWMFUGDMTSFO-RUZDIDTESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(1S)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-methylphenyl)sulfonyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:128686) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40240LINCS