EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:126960 - cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

ChEBI IDCHEBI:126960
ChEBI Namecyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
Stars
DownloadsMolfile
FormulaC28H36N4O3S
Net Charge0
Average Mass508.688
Monoisotopic Mass508.25081
SMILESCOc1ccc2c3c(nc2c1)[C@@H](CO)N(Cc1nccs1)CC31CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C28H36N4O3S/c1-35-20-7-8-21-22(15-20)30-26-23(17-33)32(16-24-29-11-14-36-24)18-28(25(21)26)9-12-31(13-10-28)27(34)19-5-3-2-4-6-19/h7-8,11,14-15,19,23,30,33H,2-6,9-10,12-13,16-18H2,1H3/t23-/m1/s1
InChIKeyGXKALLIITMFLID-HSZRJFAPSA-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)
cyclohexyl-[(1S)-1-(hydroxymethyl)-7-methoxy-2-(2-thiazolylmethyl)-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:126960) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-38523LINCS