EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:130010 - [(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(2-pyrazinyl)methanone

ChEBI IDCHEBI:130010
ChEBI Name[(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(2-pyrazinyl)methanone
Stars
DownloadsMolfile
FormulaC26H25N5O5S
Net Charge0
Average Mass519.583
Monoisotopic Mass519.15764
SMILESCOc1ccc2c3c(nc2c1)[C@H](CO)N(C(=O)c1cnccn1)CC31CN(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C26H25N5O5S/c1-36-17-7-8-19-20(11-17)29-24-22(13-32)31(25(33)21-12-27-9-10-28-21)16-26(23(19)24)14-30(15-26)37(34,35)18-5-3-2-4-6-18/h2-12,22,29,32H,13-16H2,1H3/t22-/m0/s1
InChIKeyJJUNUAOWOSGWIP-QFIPXVFZSA-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)
[(1R)-1'-(benzenesulfonyl)-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]yl]-(2-pyrazinyl)methanone (CHEBI:130010) is a harmala alkaloid (CHEBI:61379)
Manual XrefsDatabases
LSM-41561LINCS