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> Main
CHEBI:18057 - vellosimine
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ChEBI Ontology
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ChEBI Name
vellosimine
ChEBI ID
CHEBI:18057
Definition
An indole alkaloid that is sarpagan in which the methyl group attached to position 16 has been oxidised to the corresponding aldehyde.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:9942, CHEBI:15305, CHEBI:58362, CHEBI:57765
Supplier Information
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Molfile
Formulae
C19H20N2O
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-VICVVEARSA-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
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
Sources
(+)-vellosimine
ChemIDplus
vellosimine
UniProt
Vellosimine
KEGG COMPOUND
Manual Xrefs
Databases
C11634
KEGG COMPOUND
EVS
PDBeChem
VELLOSIMINE
MetaCyc
View more database links
Registry Numbers
Types
Sources
6874-98-2
CAS Registry Number
KEGG COMPOUND
6874-98-2
CAS Registry Number
ChemIDplus
6894764
Reaxys Registry Number
Reaxys
Citations
Types
Sources
10891229
PubMed citation
Europe PMC
14510528
PubMed citation
Europe PMC
20392128
PubMed citation
Europe PMC
Last Modified
04 August 2014