CRESOPYRINE (CHEBI:193212)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	CRESOPYRINE

ChEBI ID	CHEBI:193212

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H10O4

Net Charge

Average Mass

194.186

Monoisotopic Mass

194.05791

InChI

InChI=1S/C10H10O4/c1-6-4-3-5-8(10(12)13)9(6)14-7(2)11/h3-5H,1-2H3,(H,12,13)

InChIKey

XRBMKGUDDJPAMH-UHFFFAOYSA-N

SMILES

O(C1=C(C=CC=C1C(O)=O)C)C(=O)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in feces (BTO:0000440). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	CRESOPYRINE (CHEBI:193212) is a benzoic acids (CHEBI:22723) CRESOPYRINE (CHEBI:193212) is a carboxylic ester (CHEBI:33308) CRESOPYRINE (CHEBI:193212) is a salicylates (CHEBI:26596)

IUPAC Name

2-acetyloxy-3-methylbenzoic acid

Registry Number	Type	Source
4386-39-4	CAS Registry Number	ChemIDplus