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CHEBI:3668 - Choline salicylate

ChEBI IDCHEBI:3668
ChEBI NameCholine salicylate
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC5H14NO.C7H5O3
Net Charge0
Average Mass241.287
Monoisotopic Mass241.13141
SMILESC[N+](C)(C)CCO.O=C([O-])c1ccccc1O
InChIInChI=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
InChIKeyUDKCHVLMFQVBAA-UHFFFAOYSA-M
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Choline salicylate (CHEBI:3668) has functional parent salicylic acid (CHEBI:16914)
Choline salicylate (CHEBI:3668) is a hydroxybenzoic acid (CHEBI:24676)
Synonym  Source
Choline salicylateKEGG COMPOUND
Manual XrefsDatabases
D00810KEGG DRUG
Registry NumbersSources
CAS:2016-36-6KEGG COMPOUND