EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130440 - (1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

ChEBI IDCHEBI:130440
ChEBI Name(1S)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide
Stars
DownloadsMolfile
FormulaC22H32N4O5S
Net Charge0
Average Mass464.588
Monoisotopic Mass464.20934
SMILESCCS(=O)(=O)N1CC2(CN(C(=O)NC(C)C)[C@H](CO)c3c2c2ccc(OC)cc2n3C)C1
InChIInChI=1S/C22H32N4O5S/c1-6-32(29,30)25-11-22(12-25)13-26(21(28)23-14(2)3)18(10-27)20-19(22)16-8-7-15(31-5)9-17(16)24(20)4/h7-9,14,18,27H,6,10-13H2,1-5H3,(H,23,28)/t18-/m1/s1
InChIKeyRSUQALRHXNGDLT-GOSISDBHSA-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)-1'-ethylsulfonyl-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:130440) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41989LINCS