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acetylsalicylic acid (CHEBI:15365)

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ChEBI Name acetylsalicylic acid
ChEBI ID CHEBI:15365
Definition Benzoic acid carrying an acetoxy group at the 2-position. A non-steroidal anti-inflammatory drug with moA cyclooxygenase inhibitor activity.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anonymous
Secondary ChEBI IDs CHEBI:40705, CHEBI:71414, CHEBI:22188, CHEBI:22203, CHEBI:2890
Supplier Information
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Formula Source
C9H8O4 KEGG COMPOUND
Net Charge 0
Average Mass 180.15740
InChI
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
InChIKey
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
SMILES
CC(=O)Oc1ccccc1C(O)=O
Roles Classification
Chemical Role(s): EC 1.1.1.188 (prostaglandin-F synthase) inhibitor
An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of prostaglandin-F synthase (EC 1.1.1.188).
cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
cyclooxygenase 1 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): EC 1.1.1.188 (prostaglandin-F synthase) inhibitor
An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor that interferes with the action of prostaglandin-F synthase (EC 1.1.1.188).
non-narcotic analgesic
A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
cyclooxygenase 2 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
cyclooxygenase 1 inhibitor
A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 1.
prostaglandin antagonist
A compound that inhibits the action of prostaglandins.
teratogenic agent
A role played by a chemical compound in biological systems with adverse consequences in embryo developments, leading to birth defects, embryo death or altered development, growth retardation and functional defect.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
(via benzoic acids )
Application(s): non-steroidal anti-inflammatory drug
An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
non-narcotic analgesic
A drug that has principally analgesic, antipyretic and anti-inflammatory actions. Non-narcotic analgesics do not bind to opioid receptors.
plant activator
Any compound that protects plants by activating their defence mechanisms.
platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
antipyretic
A drug that prevents or reduces fever by lowering the body temperature from a raised state. An antipyretic will not affect the normal body temperature if one does not have fever. Antipyretics cause the hypothalamus to override an interleukin-induced increase in temperature. The body will then work to lower the temperature and the result is a reduction in fever.
prostaglandin antagonist
A compound that inhibits the action of prostaglandins.
anticoagulant
An agent that prevents blood clotting.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing acetylsalicylic acid (CHEBI:15365) has functional parent salicylic acid (CHEBI:16914)
acetylsalicylic acid (CHEBI:15365) has role anticoagulant (CHEBI:50249)
acetylsalicylic acid (CHEBI:15365) has role antipyretic (CHEBI:35493)
acetylsalicylic acid (CHEBI:15365) has role cyclooxygenase 1 inhibitor (CHEBI:50630)
acetylsalicylic acid (CHEBI:15365) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
acetylsalicylic acid (CHEBI:15365) has role EC 1.1.1.188 (prostaglandin-F synthase) inhibitor (CHEBI:77425)
acetylsalicylic acid (CHEBI:15365) has role non-narcotic analgesic (CHEBI:35481)
acetylsalicylic acid (CHEBI:15365) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
acetylsalicylic acid (CHEBI:15365) has role plant activator (CHEBI:73182)
acetylsalicylic acid (CHEBI:15365) has role platelet aggregation inhibitor (CHEBI:50427)
acetylsalicylic acid (CHEBI:15365) has role prostaglandin antagonist (CHEBI:49023)
acetylsalicylic acid (CHEBI:15365) has role teratogenic agent (CHEBI:50905)
acetylsalicylic acid (CHEBI:15365) is a acetate ester (CHEBI:47622)
acetylsalicylic acid (CHEBI:15365) is a benzoic acids (CHEBI:22723)
acetylsalicylic acid (CHEBI:15365) is a salicylates (CHEBI:26596)
acetylsalicylic acid (CHEBI:15365) is conjugate acid of acetylsalicylate (CHEBI:13719)
Incoming acetylsalicylate (CHEBI:13719) is conjugate base of acetylsalicylic acid (CHEBI:15365)
IUPAC Name
2-(acetyloxy)benzoic acid
INNs Sources
acide acétylsalicylique ChemIDplus
ácido acetilsalicílico NIST Chemistry WebBook
acidum acetylsalicylicum NIST Chemistry WebBook
Synonyms Sources
2-(ACETYLOXY)BENZOIC ACID PDBeChem
2-Acetoxybenzenecarboxylic acid KEGG COMPOUND
2-acetoxybenzoic acid ChemIDplus
Acetylsalicylate KEGG COMPOUND
Acetylsalicylic acid KEGG COMPOUND
Acetylsalicylsäure ChemIDplus
acide 2-(acétyloxy)benzoïque IUPAC
ASA ChemIDplus
Aspirin KEGG COMPOUND
Azetylsalizylsäure ChEBI
o-acetoxybenzoic acid NIST Chemistry WebBook
O-acetylsalicylic acid ChemIDplus
o-carboxyphenyl acetate NIST Chemistry WebBook
salicylic acid acetate ChemIDplus
Brand Name Source
Easprin KEGG DRUG
Database Links Databases
AIN PDBeChem
Aspirin Wikipedia
C01405 KEGG COMPOUND
CPD-524 MetaCyc
D00109 KEGG DRUG
DB00945 DrugBank
HMDB01879 HMDB
View more database links
Registry Numbers Types Sources
218864 Gmelin Registry Number Gmelin
50-78-2 CAS Registry Number KEGG COMPOUND
50-78-2 CAS Registry Number NIST Chemistry WebBook
50-78-2 CAS Registry Number ChemIDplus
779271 Reaxys Registry Number Reaxys
779271 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
11203441 PubMed citation CiteXplore
11402787 PubMed citation CiteXplore
11597554 PubMed citation CiteXplore
11733186 PubMed citation CiteXplore
12852484 PubMed citation CiteXplore
14753751 PubMed citation CiteXplore
15542410 PubMed citation CiteXplore
15590729 PubMed citation CiteXplore
1650428 PubMed citation CiteXplore
18226435 PubMed citation CiteXplore
18335236 PubMed citation CiteXplore
19010312 PubMed citation CiteXplore
19386367 PubMed citation CiteXplore
19706045 PubMed citation CiteXplore
21699808 PubMed citation CiteXplore
22866967 PubMed citation CiteXplore
445303 PubMed citation CiteXplore
Last Modified
02 junio 2014

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