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Substrate Report for: Aspirin

Name Class
AspirinTypeSalicylic
Acetate
Benzoate
Drug
Other_Name (7)
Chemical_Nomenclature2-acetyloxybenzoic acid
FormulaC9H8O4
CAS_number50-78-02
MW180.2
Kinetic_parameterAspirin_WT_human-BCHE
Aspirin_D70G_human-BCHE
Paper (11)
CommentThe prototypical analgesic used in the treatment of mild to moderate pain. It has anti-inflammatory and antipyretic properties and acts as an inhibitor of cyclooxygenase which results in the inhibition of the biosynthesis of prostaglandins. Aspirin also inhibits platelet aggregation and is used in the prevention of arterial and venous thrombosis. (From Martindale, The Extra Pharmacopoeia, 30th ed, p5)
Kin_SubstrateAspirin
Gene_locushuman-BCHE
CID2244
FamilyBCHE
Carb_B_Chordata
InChIKeyBSYNRYMUTXBXSQ-UHFFFAOYSA-N
CanonicalSMILESCC(=O)OC1=CC=CC=C1C(=O)O
InChIInChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
IupharLig4139
WikipediaAspirin

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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