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> Main
CHEBI:16425 - 16-epivellosimine
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ChEBI Ontology
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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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Molfile
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Molfile
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
)
View more via ChEBI Ontology
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
View more database links
Registry Number
Type
Source
6894765
Reaxys Registry Number
Reaxys
Citations
Types
Sources
17404987
PubMed citation
Europe PMC
20392128
PubMed citation
Europe PMC
Last Modified
24 July 2015