EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130673 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

ChEBI IDCHEBI:130673
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone
Stars
DownloadsMolfile
FormulaC26H31N3O5S
Net Charge0
Average Mass497.617
Monoisotopic Mass497.19844
SMILESCCCC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C)cc1)[C@H](CO)c1nc3cc(OC)ccc3c12
InChIInChI=1S/C26H31N3O5S/c1-4-5-23(31)28-14-26(15-28)16-29(35(32,33)19-9-6-17(2)7-10-19)22(13-30)25-24(26)20-11-8-18(34-3)12-21(20)27-25/h6-12,22,27,30H,4-5,13-16H2,1-3H3/t22-/m1/s1
InChIKeyFYGQAXXLYGAJET-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)
1-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(4-methylphenyl)sulfonyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone (CHEBI:130673) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-42222LINCS