CHEBI:9008 - salicyluric acid

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ChEBI Name salicyluric acid
Definition An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C9H9NO4
Net Charge 0
Average Mass 195.17210
Monoisotopic Mass 195.05316
InChI InChI=1S/C9H9NO4/c11-7-4-2-1-3-6(7)9(14)10-5-8(12)13/h1-4,11H,5H2,(H,10,14)(H,12,13)
SMILES OC(=O)CNC(=O)c1ccccc1O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): uremic toxin
A toxin that accumulates in patients with chronic kidney disease.
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing salicyluric acid (CHEBI:9008) has functional parent glycine (CHEBI:15428)
salicyluric acid (CHEBI:9008) has role human xenobiotic metabolite (CHEBI:76967)
salicyluric acid (CHEBI:9008) has role uremic toxin (CHEBI:64584)
salicyluric acid (CHEBI:9008) is a N-acylglycine (CHEBI:16180)
salicyluric acid (CHEBI:9008) is a secondary carboxamide (CHEBI:140325)
salicyluric acid (CHEBI:9008) is conjugate acid of salicylurate (CHEBI:132923)
Incoming 5-aminosalicyluric acid (CHEBI:68589) has functional parent salicyluric acid (CHEBI:9008)
salicyluric β-D-glucuronide (CHEBI:133026) has functional parent salicyluric acid (CHEBI:9008)
salicylurate (CHEBI:132923) is conjugate base of salicyluric acid (CHEBI:9008)
(2-hydroxybenzamido)acetic acid
Synonyms Sources
N-(2-Hydroxybenzoyl)-glycine KEGG COMPOUND
N-Salicyloylglycine ChemIDplus
o-Hydroxyhippuric acid ChemIDplus
Salicyloylglycine ChemIDplus
Salicylurate KEGG COMPOUND
Salicyluric acid KEGG COMPOUND
Manual Xrefs Databases
HMDB0000840 HMDB
Salicyluric_acid Wikipedia
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Registry Numbers Types Sources
2213833 Reaxys Registry Number Reaxys
487-54-7 CAS Registry Number KEGG COMPOUND
487-54-7 CAS Registry Number ChemIDplus
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Last Modified
12 March 2018