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CHEBI:6771 - Mersalyl acid

ChEBI IDCHEBI:6771
ChEBI NameMersalyl acid
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC13H17HgNO6
Net Charge0
Average Mass483.870
Monoisotopic Mass485.07623
SMILESCOC(CNC(=O)c1ccccc1OCC(=O)O)[CH2][Hg][OH]
InChIInChI=1S/C13H16NO5.Hg.H2O/c1-9(18-2)7-14-13(17)10-5-3-4-6-11(10)19-8-12(15)16;;/h3-6,9H,1,7-8H2,2H3,(H,14,17)(H,15,16);;1H2/q;+1;/p-1
InChIKeyHQRSUIDICNOLPX-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)
Mersalyl acid (CHEBI:6771) is a monocarboxylic acid (CHEBI:25384)
Synonym  Source
Mersalyl acidKEGG COMPOUND
Manual XrefsDatabases
C11336KEGG COMPOUND
Registry NumbersSources
CAS:486-67-9KEGG COMPOUND