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CHEBI:58239 - 16-hydroxytabersoninium
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ChEBI Name
16-hydroxytabersoninium
ChEBI ID
CHEBI:58239
Definition
The indole alkaloid cation that is the conjugate acid of 16-hydroxytabersonine, arising from protonation of the tertiary amino function; major species at pH 7.3.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C21H25N2O3
Net Charge
+1
Average Mass
353.43480
Monoisotopic Mass
353.18597
InChI
InChI=1S/C21H24N2O3/c1-
3-
20-
7-
4-
9-
23-
10-
8-
21(19(20)
23)
15-
6-
5-
13(24)
11-
16(15)
22-
17(21)
14(12-
20)
18(25)
26-
2/h4-
7,11,19,22,24H,3,8-
10,12H2,1-
2H3/p+1/t19-
,20-
,21-
/m0/s1
InChIKey
FXUFRJQCBVSCRZ-ACRUOGEOSA-O
SMILES
[H][C@@]12[NH+]3CC[C@]11C(Nc4cc(O)ccc14)=C(C[C@]2(CC)C=CC3)C(=O)OC
ChEBI Ontology
Outgoing
16-hydroxytabersoninium (
CHEBI:58239
)
is a
indole alkaloid cation (
CHEBI:60521
)
16-hydroxytabersoninium (
CHEBI:58239
)
is conjugate acid of
16-hydroxytabersonine (
CHEBI:17699
)
Incoming
16-hydroxytabersonine (
CHEBI:17699
)
is conjugate base of
16-hydroxytabersoninium (
CHEBI:58239
)
IUPAC Name
(5α,9β,12β,19α)-
16-
hydroxy-
3-
(methoxycarbonyl)-
2,3,6,7-
tetradehydroaspidospermidin-
9-
ium
Synonyms
Sources
16-hydroxytabersonine
UniProt
16-hydroxytabersoninium cation
ChEBI
16-hydroxytabersoninium(1+)
ChEBI
Last Modified
02 July 2014