Preferred Name |
acetylsalicylate |
|
Synonyms |
2-(acetyloxy)benzoate acetylsalicylate |
|
Definitions |
A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_13719 |
|
charge |
-1 |
|
database_cross_reference |
MetaCyc:CPD-524 Reaxys:3906821 Beilstein:3906821 HMDB:HMDB0001879 |
|
formula |
C9H7O4 |
|
has functional parent | ||
has_exact_synonym |
2-(acetyloxy)benzoate acetylsalicylate |
|
has_obo_namespace |
chebi_ontology |
|
id |
CHEBI:13719 |
|
in_subset | ||
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 |
|
is conjugate base of | ||
label |
acetylsalicylate |
|
mass |
179.14948 |
|
monoisotopicmass |
179.03498 |
|
notation |
CHEBI:13719 |
|
prefLabel |
acetylsalicylate |
|
smiles |
CC(=O)Oc1ccccc1C([O-])=O |
|
textual definition |
A benzoate that is the conjugate base of acetylsalicylic acid, arising from deprotonation of the carboxy group. |
|
subClassOf |
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