EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130957 - 1-[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone

ChEBI IDCHEBI:130957
ChEBI Name1-[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone
Stars
DownloadsMolfile
FormulaC27H33ClN4O3
Net Charge0
Average Mass497.039
Monoisotopic Mass496.22412
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1ccccc1Cl)CC31CN(C(=O)CN(C)C)C1
InChIInChI=1S/C27H33ClN4O3/c1-29(2)13-24(34)32-16-27(17-32)15-31(12-18-7-5-6-8-21(18)28)23(14-33)26-25(27)20-10-9-19(35-4)11-22(20)30(26)3/h5-11,23,33H,12-17H2,1-4H3/t23-/m0/s1
InChIKeyVAEHCXPWBSDNTK-QHCPKHFHSA-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)
1-[(1R)-2-[(2-chlorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-2-(dimethylamino)ethanone (CHEBI:130957) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42505LINCS