EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126686 - (1R)-1'-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:126686
ChEBI Name(1R)-1'-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC27H38N4O4
Net Charge0
Average Mass482.625
Monoisotopic Mass482.28931
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)NC(C)C)CC31CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C27H38N4O4/c1-17(2)28-26(34)31-16-27(10-12-30(13-11-27)25(33)18-6-4-5-7-18)23-20-9-8-19(35-3)14-21(20)29-24(23)22(31)15-32/h8-9,14,17-18,22,29,32H,4-7,10-13,15-16H2,1-3H3,(H,28,34)/t22-/m0/s1
InChIKeyBDHHGJUFFFJCPO-QFIPXVFZSA-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'-[cyclopentyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:126686) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38249LINCS