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CHEBI:13719 - acetylsalicylate

ChEBI IDCHEBI:13719
ChEBI Nameacetylsalicylate
Stars
DefinitionA benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC9H7O4
Net Charge-1
Average Mass179.151
Monoisotopic Mass179.03498
SMILESCC(=O)Oc1ccccc1C(=O)[O-]
InChIInChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)/p-1
InChIKeyBSYNRYMUTXBXSQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
acetylsalicylic acid (CHEBI:15365) is conjugate acid of acetylsalicylate (CHEBI:13719)
IUPAC Name 
2-(acetyloxy)benzoate
UniProt Name  Source
acetylsalicylateUniProt
Manual XrefsDatabases
CPD-524MetaCyc
HMDB0001879HMDB
Registry NumbersSources
Reaxys:3906821Reaxys