CHEBI:16425 - 16-epivellosimine

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ChEBI Name 16-epivellosimine
ChEBI ID CHEBI:16425
Definition An indole alkaloid that is vellosimine in which the carbon bearing the aldehyde function has been epimerised.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11329, CHEBI:765
Supplier Information
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Formula C19H20N2O
Net Charge 0
Average Mass 292.37490
Monoisotopic Mass 292.15756
InChI InChI=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
InChIKey MHASSCPGKAMILD-MIOJWWSHSA-N
SMILES C\C=C1\CN2[C@H]3Cc4c([nH]c5ccccc45)[C@@H]2C[C@@H]1[C@@H]3C=O
Roles Classification
Biological Role(s): 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.
(via alkaloid )
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ChEBI Ontology
Outgoing 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
Synonyms Sources
16-Epivellosimine KEGG COMPOUND
16-epivellosimine UniProt
Manual Xrefs Databases
16-EPIVELLOSIMINE MetaCyc
C11633 KEGG COMPOUND
EVS PDBeChem
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Registry Number Type Source
6894765 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17404987 PubMed citation Europe PMC
20392128 PubMed citation Europe PMC
Last Modified
24 July 2015