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> Main
CHEBI:149548 - emetine(2+)
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ChEBI Name
emetine(2+)
ChEBI ID
CHEBI:149548
Definition
An ammonium ion derivative obtained from protonation of the nitrogens of emetine. It is the 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
C29H42N2O4
Net Charge
+2
Average Mass
482.664
Monoisotopic Mass
482.31336
InChI
InChI=1S/C29H40N2O4/c1-
6-
18-
17-
31-
10-
8-
20-
14-
27(33-
3)
29(35-
5)
16-
23(20)
25(31)
12-
21(18)
11-
24-
22-
15-
28(34-
4)
26(32-
2)
13-
19(22)
7-
9-
30-
24/h13-
16,18,21,24-
25,30H,6-
12,17H2,1-
5H3/p+2/t18-
,21-
,24+,25-
/m0/s1
InChIKey
AUVVAXYIELKVAI-CKBKHPSWSA-P
SMILES
C=1C(=C(C=C2C1CC[NH+]
3C[C@@H]
([C@@]
(C[C@@]
23[H]
)
([H]
)
C[C@@]
4([H]
)
[NH2+]
CCC=5C4=CC(=C(C5)
OC)
OC)
CC)
OC)
OC
ChEBI Ontology
Outgoing
emetine(2+) (
CHEBI:149548
)
is a
ammonium ion derivative (
CHEBI:35274
)
emetine(2+) (
CHEBI:149548
)
is conjugate acid of
emetine (
CHEBI:4781
)
Incoming
emetine dihydrochloride (
CHEBI:149551
)
has part
emetine(2+) (
CHEBI:149548
)
emetine (
CHEBI:4781
)
is conjugate base of
emetine(2+) (
CHEBI:149548
)
IUPAC Name
(2
S
)-6',7',10,11-tetramethoxyemetan-2',5-diium
Synonyms
Sources
emetine
UniProt
emetine dication
ChEBI
Manual Xref
Database
CPD-14817
MetaCyc
View more database links
Citation
Type
Source
5985282
PubMed citation
Europe PMC
Last Modified
12 June 2024