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Gentisuric acid (Standard)

CAT: 0804-HY-W338852R-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W338852R-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Gentisuric acid (Standard) is the analytical standard of Gentisuric acid. This product is intended for research and analytical applications. Gentisuric acid, a metabolite of Aspirin , is a substrate of α-amidating monooxygenase (PAM). Gentisuric acid prevents DNA-damage by Mitomycin C (HY-13316)[2].
CAS Number
25351-24-0
UNSPSC
12352005
Target
Drug Metabolite; Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Smiles
OC1=CC(C(NCC(O)=O)=O)=C(O)C=C1
Molecular Formula
C9H9NO5
Molecular Weight
211.17
References & Citations
[1]DeBlassio JL, et al. Amidation of salicyluric acid and gentisuric acid: a possible role for peptidylglycine alpha-amidating monooxygenase in the metabolism of aspirin. Arch Biochem Biophys. 2000 Nov 1;383 (1) :46-55.|[2]Niikawa M, et al. Suppressive effect of post- or pre-treatment of aspirin metabolite on mitomycin C-induced genotoxicity using the somatic mutation and recombination test in Drosophila melanogaster. Biomed Pharmacother. 2007 Feb-Apr;61 (2-3) :113-9.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Gentisuric acid

Gentisuric acid is a N-acylglycine.

CAS Number25351-24-0
PubChem CID161488
IUPAC Name2-[(2,5-dihydroxybenzoyl)amino]acetic acid
Molecular FormulaC9H9NO5
Molecular Weight211.17
XLogP0.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity255
SMILES
C1=CC(=C(C=C1O)C(=O)NCC(=O)O)O
InChI
InChI=1S/C9H9NO5/c11-5-1-2-7(12)6(3-5)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
InChIKey
FBFATOOJCPDQOZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gentisuric acid
CAS: 25351-24-0
CID: 161488
Formula: C9H9NO5
MW: 211.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight211.17
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass211.04807239
Monoisotopic Mass211.04807239
Topological Polar Surface Area107 Ų
Heavy Atom Count15
Formal Charge0
Complexity255
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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