EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:129891 - 1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(2-pyrazinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone

ChEBI IDCHEBI:129891
ChEBI Name1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-[oxo(2-pyrazinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone
Stars
DownloadsMolfile
FormulaC25H29N5O4
Net Charge0
Average Mass463.538
Monoisotopic Mass463.22195
SMILESCOc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C25H29N5O4/c1-16(32)30-15-25(6-10-29(11-7-25)24(33)19-13-26-8-9-27-19)22-18-5-4-17(34-3)12-20(18)28(2)23(22)21(30)14-31/h4-5,8-9,12-13,21,31H,6-7,10-11,14-15H2,1-3H3/t21-/m1/s1
InChIKeySLZGQCVOMHOTHN-OAQYLSRUSA-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-9-methyl-1'-[oxo(2-pyrazinyl)methyl]-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]ethanone (CHEBI:129891) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41442LINCS