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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:3668 - Choline salicylate
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ChEBI Ontology
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ChEBI Name
Choline salicylate
ChEBI ID
CHEBI:3668
Stars
This entity has been manually annotated by a third party.
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Formulae
C12H19NO4
C7H5O3.C5H14NO
Net Charge
0
Average Mass
241.284
Monoisotopic Mass
241.13141
InChI
InChI=1S/C7H6O3.C5H14NO/c8-
6-
4-
2-
1-
3-
5(6)
7(9)
10;1-
6(2,3)
4-
5-
7/h1-
4,8H,(H,9,10)
;7H,4-
5H2,1-
3H3/q;+1/p-
1
InChIKey
UDKCHVLMFQVBAA-UHFFFAOYSA-M
SMILES
C1(=C(C=CC=C1)O)C(=O)[O-].C[N+](CCO)(C)C
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Choline salicylate (
CHEBI:3668
)
has functional parent
salicylic acid (
CHEBI:16914
)
Choline salicylate (
CHEBI:3668
)
is a
hydroxybenzoic acid (
CHEBI:24676
)
Synonym
Source
Choline salicylate
KEGG COMPOUND
Manual Xref
Database
D00810
KEGG DRUG
View more database links
Registry Number
Type
Source
2016-36-6
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017