EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130351 - (1S)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide

ChEBI IDCHEBI:130351
ChEBI Name(1S)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide
Stars
DownloadsMolfile
FormulaC28H29FN6O5
Net Charge0
Average Mass548.575
Monoisotopic Mass548.21835
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1ccc(F)cc1)CC31CN(C(=O)Nc2c(C)noc2C)C1
InChIInChI=1S/C28H29FN6O5/c1-15-24(16(2)40-33-15)32-26(37)34-12-28(13-34)14-35(27(38)30-18-6-4-17(29)5-7-18)22(11-36)25-23(28)20-9-8-19(39-3)10-21(20)31-25/h4-10,22,31,36H,11-14H2,1-3H3,(H,30,38)(H,32,37)/t22-/m1/s1
InChIKeyRGFHOENIHDBENQ-JOCHJYFZSA-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)-N1'-(3,5-dimethyl-4-isoxazolyl)-N2-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]-1',2-dicarboxamide (CHEBI:130351) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41900LINCS