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CHEBI:16425 - 16-epivellosimine

ChEBI IDCHEBI:16425
ChEBI Name16-epivellosimine
Stars
DefinitionAn indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised.
Secondary ChEBI IDsCHEBI:765, CHEBI:11329
Last Modified24 July 2015
DownloadsMolfile
FormulaC19H20N2O
Net Charge0
Average Mass292.382
Monoisotopic Mass292.15756
SMILES[H]C(=O)[C@]1([H])[C@@H]2Cc3c(nc4ccccc34)[C@]3([H])C[C@H]1/C(=C\C)CN23
InChIInChI=1S/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3/b11-2-/t13-,15-,17-,18-/m0/s1
InChIKeyMHASSCPGKAMILD-MIOJWWSHSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
16-epivellosimine (CHEBI:16425) has parent hydride sarpagan (CHEBI:36312)
16-epivellosimine (CHEBI:16425) has role plant metabolite (CHEBI:76924)
16-epivellosimine (CHEBI:16425) is a aldehyde (CHEBI:17478)
16-epivellosimine (CHEBI:16425) is a indole alkaloid (CHEBI:38958)
16-epivellosimine (CHEBI:16425) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
16-episarpagan-17-al
Synonym  Source
16-EpivellosimineKEGG COMPOUND
UniProt Name  Source
16-epivellosimineUniProt
Manual XrefsDatabases
C11633KEGG COMPOUND
EVSPDBeChem
16-EPIVELLOSIMINEMetaCyc
Registry NumbersSources
Reaxys:6894765Reaxys
Citations