EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130225 - (1S)-1-(hydroxymethyl)-7-methoxy-1'-[4-oxanyl(oxo)methyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

ChEBI IDCHEBI:130225
ChEBI Name(1S)-1-(hydroxymethyl)-7-methoxy-1'-[4-oxanyl(oxo)methyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide
Stars
DownloadsMolfile
FormulaC27H38N4O5
Net Charge0
Average Mass498.624
Monoisotopic Mass498.28422
SMILESCCCNC(=O)N1CC2(CCN(C(=O)C3CCOCC3)CC2)c2c(nc3cc(OC)ccc23)[C@H]1CO
InChIInChI=1S/C27H38N4O5/c1-3-10-28-26(34)31-17-27(8-11-30(12-9-27)25(33)18-6-13-36-14-7-18)23-20-5-4-19(35-2)15-21(20)29-24(23)22(31)16-32/h4-5,15,18,22,29,32H,3,6-14,16-17H2,1-2H3,(H,28,34)/t22-/m1/s1
InChIKeyNYIJTYQJVPDGQM-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)-1-(hydroxymethyl)-7-methoxy-1'-[4-oxanyl(oxo)methyl]-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:130225) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41774LINCS