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ChEBI
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CHEBI:77617 - senecionine(1+)
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ChEBI Ontology
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ChEBI Name
senecionine(1+)
ChEBI ID
CHEBI:77617
Definition
An organic cation obtained by protonation of the tertiary amino group of senecionine; major structure at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Anne Morgat
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Formula
C18H26NO5
Net Charge
+1
Average Mass
336.40220
Monoisotopic Mass
336.18055
InChI
InChI=1S/C18H25NO5/c1-
4-
12-
9-
11(2)
18(3,22)
17(21)
23-
10-
13-
5-
7-
19-
8-
6-
14(15(13)
19)
24-
16(12)
20/h4-
5,11,14-
15,22H,6-
10H2,1-
3H3/p+1/b12-
4-
/t11-
,14-
,15-
,18-
/m1/s1
InChIKey
HKODIGSRFALUTA-JTLQZVBZSA-O
SMILES
C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[NH+]3CC[C@@H](OC1=O)[C@@H]23
ChEBI Ontology
Outgoing
senecionine(1+) (
CHEBI:77617
)
is a
ammonium ion derivative (
CHEBI:35274
)
senecionine(1+) (
CHEBI:77617
)
is a
organic cation (
CHEBI:25697
)
senecionine(1+) (
CHEBI:77617
)
is conjugate acid of
senecionine (
CHEBI:9107
)
Incoming
senecionine (
CHEBI:9107
)
is conjugate base of
senecionine(1+) (
CHEBI:77617
)
IUPAC Name
12-hydroxy-11,16-dioxosenecionan-4-ium
Synonyms
Sources
senecionine
UniProt
senecionine cation
ChEBI
Last Modified
17 April 2014