EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126573 - (1R)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyrazinyl)methyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:126573
ChEBI Name(1R)-1-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyrazinyl)methyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC24H28N6O4
Net Charge0
Average Mass464.526
Monoisotopic Mass464.21720
SMILESCCCNC(=O)N1CC2(CN(C(=O)c3cnccn3)C2)c2c(nc3cc(OC)ccc23)[C@@H]1CO
InChIInChI=1S/C24H28N6O4/c1-3-6-27-23(33)30-14-24(12-29(13-24)22(32)18-10-25-7-8-26-18)20-16-5-4-15(34-2)9-17(16)28-21(20)19(30)11-31/h4-5,7-10,19,28,31H,3,6,11-14H2,1-2H3,(H,27,33)/t19-/m0/s1
InChIKeyLBKLLFCFXJVMTQ-IBGZPJMESA-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-(hydroxymethyl)-7-methoxy-1'-[oxo(2-pyrazinyl)methyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:126573) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38137LINCS