EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130427 - [(1R)-1'-(cyclopentylmethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol

ChEBI IDCHEBI:130427
ChEBI Name[(1R)-1'-(cyclopentylmethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol
Stars
DownloadsMolfile
FormulaC24H35N3O4S
Net Charge0
Average Mass461.628
Monoisotopic Mass461.23483
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CCCC2)CC1
InChIInChI=1S/C24H35N3O4S/c1-31-18-7-8-19-20(13-18)25-23-21(15-28)27(32(2,29)30)16-24(22(19)23)9-11-26(12-10-24)14-17-5-3-4-6-17/h7-8,13,17,21,25,28H,3-6,9-12,14-16H2,1-2H3/t21-/m0/s1
InChIKeyVICOEWBREXZATR-NRFANRHFSA-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)
[(1R)-1'-(cyclopentylmethyl)-7-methoxy-2-methylsulfonyl-1-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanol (CHEBI:130427) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41976LINCS