CHEBI:6771 - Mersalyl acid

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ChEBI Name Mersalyl acid
ChEBI ID CHEBI:6771
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C13H17HgNO6
Net Charge 0
Average Mass 483.877
Monoisotopic Mass 485.076
InChI InChI=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
InChIKey HQRSUIDICNOLPX-UHFFFAOYSA-M
SMILES COC(CNC(=O)c1ccccc1OCC(O)=O)C[Hg]O
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 Mersalyl acid (CHEBI:6771) is a monocarboxylic acid (CHEBI:25384)
Synonym Source
Mersalyl acid KEGG COMPOUND
Manual Xref Database
C11336 KEGG COMPOUND
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Registry Number Type Source
486-67-9 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014