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CHEBI:18057 - vellosimine

ChEBI IDCHEBI:18057
ChEBI Namevellosimine
Stars
DefinitionAn indole alkaloid that is sarpagan in which the methyl group attached to position 16 has been oxidised to the corresponding aldehyde.
Secondary ChEBI IDsCHEBI:9942, CHEBI:15305, CHEBI:57765, CHEBI:58362
Last Modified22 July 2025
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-VICVVEARSA-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)
vellosimine (CHEBI:18057) has parent hydride sarpagan (CHEBI:36312)
vellosimine (CHEBI:18057) has role plant metabolite (CHEBI:76924)
vellosimine (CHEBI:18057) is a aldehyde (CHEBI:17478)
vellosimine (CHEBI:18057) is a indole alkaloid (CHEBI:38958)
vellosimine (CHEBI:18057) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name 
sarpagan-17-al
Synonyms  Source
VellosimineKEGG COMPOUND
(+)-vellosimineChemIDplus
UniProt Name  Source
vellosimineUniProt
Manual XrefsDatabases
C11634KEGG COMPOUND
VELLOSIMINEMetaCyc
EVSPDBeChem
Registry NumbersSources
Reaxys:6894764Reaxys
CAS:6874-98-2KEGG COMPOUND
CAS:6874-98-2ChemIDplus
Citations