EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130844 - (1S)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:130844
ChEBI Name(1S)-2-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC28H33FN4O4
Net Charge0
Average Mass508.594
Monoisotopic Mass508.24858
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)c1ccc(F)cc1)CC31CCN(C(=O)NC(C)C)CC1
InChIInChI=1S/C28H33FN4O4/c1-17(2)30-27(36)32-12-10-28(11-13-32)16-33(26(35)18-4-6-19(29)7-5-18)23(15-34)25-24(28)21-9-8-20(37-3)14-22(21)31-25/h4-9,14,17,23,31,34H,10-13,15-16H2,1-3H3,(H,30,36)/t23-/m1/s1
InChIKeyXBYPQBUOAZUQNE-HSZRJFAPSA-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-[(4-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130844) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42393LINCS