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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:13719 - acetylsalicylate
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ChEBI Ontology
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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.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H7O4
Net Charge
-1
Average Mass
179.14948
Monoisotopic Mass
179.03498
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
Manual Xrefs
Databases
CPD-524
MetaCyc
HMDB0001879
HMDB
View more database links
Registry Numbers
Types
Sources
3906821
Beilstein Registry Number
Beilstein
3906821
Reaxys Registry Number
Reaxys
Last Modified
13 November 2017