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ChEBI
> Main
CHEBI:58091 - deacetylisoipecoside(1+)
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ChEBI Name
deacetylisoipecoside(1+)
ChEBI ID
CHEBI:58091
Definition
The ammonium ion resulting from addition of a proton to the nitrogen of deacetylisoipecoside.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C25H34NO11
Net Charge
+1
Average Mass
524.53760
Monoisotopic Mass
524.21264
InChI
InChI=1S/C25H33NO11/c1-
3-
12-
14(7-
16-
13-
8-
18(29)
17(28)
6-
11(13)
4-
5-
26-
16)
15(23(33)
34-
2)
10-
35-
24(12)
37-
25-
22(32)
21(31)
20(30)
19(9-
27)
36-
25/h3,6,8,10,12,14,16,19-
22,24-
32H,1,4-
5,7,9H2,2H3/p+1/t12-
,14+,16+,19-
,20-
,21+,22-
,24+,25+/m1/s1
InChIKey
MTAVTRZTGFLKSC-ONGZBVEHSA-O
SMILES
[H]
[C@@]
1(C[C@]
2([H]
)
C(=CO[C@@H]
(O[C@@H]
3O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
3O)
[C@]
2([H]
)
C=C)
C(=O)
OC)
[NH2+]
CCc2cc(O)
c(O)
cc12
ChEBI Ontology
Outgoing
deacetylisoipecoside(1+) (
CHEBI:58091
)
is a
ammonium ion derivative (
CHEBI:35274
)
deacetylisoipecoside(1+) (
CHEBI:58091
)
is a
organic anion (
CHEBI:25696
)
deacetylisoipecoside(1+) (
CHEBI:58091
)
is conjugate acid of
deacetylisoipecoside (
CHEBI:17286
)
Incoming
deacetylisoipecoside (
CHEBI:17286
)
is conjugate base of
deacetylisoipecoside(1+) (
CHEBI:58091
)
IUPAC Name
(2
S
,3
R
,4
S
)-
4-
{[(1
S
)-
6,7-
dihydroxy-
1,2,3,4-
tetrahydroisoquinolinium-
1-
yl]methyl}-
3-
ethenyl-
5-
(methoxycarbonyl)-
3,4-
dihydro-
2
H
-
pyran-
2-
yl β-
D
-
glucopyranoside
Synonyms
Sources
deacetylisoipecoside cation
ChEBI
N
-deacetylisoipecoside
UniProt
Last Modified
15 February 2024