EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129569 - (1R)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide

ChEBI IDCHEBI:129569
ChEBI Name(1R)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide
Stars
DownloadsMolfile
FormulaC26H30FN5O4
Net Charge0
Average Mass495.555
Monoisotopic Mass495.22818
SMILESCCCNC(=O)N1CC2(C1)CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H30FN5O4/c1-3-10-28-24(34)31-13-26(14-31)15-32(25(35)29-17-6-4-16(27)5-7-17)21(12-33)23-22(26)19-9-8-18(36-2)11-20(19)30-23/h4-9,11,21,30,33H,3,10,12-15H2,1-2H3,(H,28,34)(H,29,35)/t21-/m0/s1
InChIKeySOSOVIUQWTYAEV-NRFANRHFSA-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)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-N1'-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide (CHEBI:129569) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41120LINCS