CHEBI:13719 - acetylsalicylate

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ChEBI Name acetylsalicylate
ChEBI ID CHEBI:13719
Definition A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H7O4
Net Charge -1
Average Mass 179.14948
Monoisotopic Mass 179.034
InChI InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/p-1
InChIKey BSYNRYMUTXBXSQ-UHFFFAOYSA-M
SMILES CC(=O)Oc1ccccc1C([O-])=O
ChEBI Ontology
Outgoing acetylsalicylate (CHEBI:13719) has functional parent salicylate (CHEBI:30762)
acetylsalicylate (CHEBI:13719) is a benzoates (CHEBI:22718)
acetylsalicylate (CHEBI:13719) is conjugate base of acetylsalicylic acid (CHEBI:15365)
Incoming acetylsalicylic acid (CHEBI:15365) is conjugate acid of acetylsalicylate (CHEBI:13719)
IUPAC Name
2-(acetyloxy)benzoate
Synonym Source
acetylsalicylate UniProt
Database Links Databases
CPD-524 MetaCyc
HMDB0001879 HMDB
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Registry Numbers Types Sources
3906821 Beilstein Registry Number Beilstein
3906821 Reaxys Registry Number Reaxys
Last Modified
13 November 2017