EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130382 - (1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130382
ChEBI Name(1R)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC27H28FN5O3S
Net Charge0
Average Mass521.618
Monoisotopic Mass521.18969
SMILESCOc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Nc1cccc(F)c1)CC31CN(Cc2nccs2)C1
InChIInChI=1S/C27H28FN5O3S/c1-31-21-11-19(36-2)6-7-20(21)24-25(31)22(13-34)33(26(35)30-18-5-3-4-17(28)10-18)16-27(24)14-32(15-27)12-23-29-8-9-37-23/h3-11,22,34H,12-16H2,1-2H3,(H,30,35)/t22-/m0/s1
InChIKeyHAMKAMUMLNLHFC-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)-N-(3-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130382) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41931LINCS