EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130178 - 2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone

ChEBI IDCHEBI:130178
ChEBI Name2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone
Stars
DownloadsMolfile
FormulaC24H31N5O3S
Net Charge0
Average Mass469.611
Monoisotopic Mass469.21476
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2nccs2)C1
InChIInChI=1S/C24H31N5O3S/c1-26(2)11-21(31)29-15-24(13-28(14-24)10-20-25-7-8-33-20)22-17-6-5-16(32-4)9-18(17)27(3)23(22)19(29)12-30/h5-9,19,30H,10-15H2,1-4H3/t19-/m1/s1
InChIKeyKSTCOTQDIKKEAC-LJQANCHMSA-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)
2-(dimethylamino)-1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(2-thiazolylmethyl)-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]ethanone (CHEBI:130178) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41728LINCS