EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130570 - [(1S)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone

ChEBI IDCHEBI:130570
ChEBI Name[(1S)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone
Stars
DownloadsMolfile
FormulaC28H39N3O4
Net Charge0
Average Mass481.637
Monoisotopic Mass481.29406
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(CC1CCCCC1)CC31CN(C(=O)C2CCOCC2)C1
InChIInChI=1S/C28H39N3O4/c1-34-21-7-8-22-23(13-21)29-26-24(15-32)30(14-19-5-3-2-4-6-19)16-28(25(22)26)17-31(18-28)27(33)20-9-11-35-12-10-20/h7-8,13,19-20,24,29,32H,2-6,9-12,14-18H2,1H3/t24-/m1/s1
InChIKeyWAYFAYLWZGJUBM-XMMPIXPASA-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)-2-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(4-oxanyl)methanone (CHEBI:130570) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42119LINCS