CHEBI:3668 - Choline salicylate

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ChEBI Name Choline salicylate
ChEBI ID CHEBI:3668
Stars This entity has been manually annotated by a third party.
Supplier Information
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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 (Bronsted base).
(via oxoacid )
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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
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Registry Number Type Source
2016-36-6 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017