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Environmental conditions, treatments and exposures ontology
Last uploaded:
February 14, 2023
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| 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
|
|
| formula |
C9H7O4
|
|
| has exact synonym |
2-(acetyloxy)benzoate acetylsalicylate
|
|
| has functional parent | ||
| hasOBONamespace |
chebi_ontology
|
|
| id |
CHEBI:13719
|
|
| 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
|
|
| inSubset | ||
| 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.
|
|
| xRef |
MetaCyc:CPD-524 Reaxys:3906821 Beilstein:3906821 HMDB:HMDB0001879
|
|
| subClassOf |
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