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acetylsalicylate

CHEBI:CHEBI_13719

Definition

A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group.

Chemical Information

Molecular Formula
C9H7O4
Molecular Mass
179.14948
Charge
-1
SMILES
CC(=O)Oc1ccccc1C([O-])=O
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

Alternative Names

  • 2-(acetyloxy)benzoate
  • acetylsalicylate

Drug Classification

Important Medical Information

⚕️ This information is sourced from ChEBI (Chemical Entities of Biological Interest) database and is intended for educational purposes only.

  • Always consult with a healthcare professional before starting, stopping, or modifying any medication.
  • Side effects may vary and this list may not be comprehensive.
  • Drug interactions may occur with other medications.

Additional Identifiers

oboInOwl#hasDbXref
Reaxys:3906821
core#notation
CHEBI:13719

Additional References

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Additional Attributes

oboInOwl#hasOBONamespace
chebi_ontology
oboInOwl#hasDbXref
Reaxys:3906821
oboInOwl#id
CHEBI:13719
core#notation
CHEBI:13719
oboInOwl#inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
chebi#is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_15365
chebi#has_functional_parent
http://purl.obolibrary.org/obo/CHEBI_30762
22-rdf-syntax-ns#type
http://www.w3.org/2002/07/owl#Class
chebi#is_conjugate_acid_of
http://purl.obolibrary.org/obo/CHEBI_15365
owl#annotatedSource
t108757
owl#someValuesFrom
t114956