5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080)

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ChEBI Name	5-oxo-2,5-dihydro-2-furylacetic acid

ChEBI ID	CHEBI:18080

Definition	A 5-oxo-2-furylacetic acid having the C=C double bond at the 3,4-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:11450, CHEBI:934, CHEBI:12150, CHEBI:19379

Supplier Information

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Formula

C6H6O4

Net Charge

Average Mass

142.10944

Monoisotopic Mass

142.02661

InChI

InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)

InChIKey

HPEKPJGPWNSAAV-UHFFFAOYSA-N

SMILES

OC(=O)CC1OC(=O)C=C1

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	5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080) is a 5-oxo-2-furylacetic acid (CHEBI:23730) 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080) is conjugate acid of 5-oxo-2,5-dihydro-2-furylacetate (CHEBI:58372)

Incoming	5-chloromuconolactone (CHEBI:134415) has functional parent 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080) (R)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48069) is a 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080) (S)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48068) is a 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080) 5-oxo-2,5-dihydro-2-furylacetate (CHEBI:58372) is conjugate base of 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080)

IUPAC Name

(5-oxo-2,5-dihydrofuran-2-yl)acetic acid

Synonyms	Sources
2,5-Dihydro-5-oxofuran-2-acetate	KEGG COMPOUND
2-Oxo-2,5-dihydrofuran-5-acetate	KEGG COMPOUND
4-Carboxymethyl-4-hydroxyisocrotonolactone	KEGG COMPOUND
5-Oxo-2,5-dihydrofuran-2-acetate	KEGG COMPOUND
Muconolactone	KEGG COMPOUND

Last Modified

06 February 2017