EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129325 - (1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:129325
ChEBI Name(1S)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC27H35N5O5
Net Charge0
Average Mass509.607
Monoisotopic Mass509.26382
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(C(=O)Nc1c(C)noc1C)CC31CN(CC2CCOCC2)C1
InChIInChI=1S/C27H35N5O5/c1-16-24(17(2)37-30-16)29-26(34)32-15-27(13-31(14-27)11-18-6-8-36-9-7-18)23-20-5-4-19(35-3)10-21(20)28-25(23)22(32)12-33/h4-5,10,18,22,28,33H,6-9,11-15H2,1-3H3,(H,29,34)/t22-/m1/s1
InChIKeyVHGYWENKJQVQTR-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)-N-(3,5-dimethyl-4-isoxazolyl)-1-(hydroxymethyl)-7-methoxy-1'-(4-oxanylmethyl)-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129325) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-40876LINCS