CHEBI:18267 - 5-oxo-4,5-dihydro-2-furylacetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 5-oxo-4,5-dihydro-2-furylacetic acid
ChEBI ID CHEBI:18267
Definition The 4,5-dihydro- derivative of 5-oxo-2-furylacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:11871, CHEBI:1239, CHEBI:11923, CHEBI:20269
Supplier Information ZINC000328578076
Download Molfile XML SDF
Formula C6H6O4
Net Charge 0
Average Mass 142.10944
Monoisotopic Mass 142.02661
InChI InChI=1S/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)
InChIKey ZPEHSARSWGDCEX-UHFFFAOYSA-N
SMILES OC(=O)CC1=CCC(=O)O1
Metabolite of Species Details
Burkholderia cepacia (NCBI:txid292) See: PubMed
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): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 5-oxo-4,5-dihydro-2-furylacetic acid (CHEBI:18267) has role bacterial metabolite (CHEBI:76969)
5-oxo-4,5-dihydro-2-furylacetic acid (CHEBI:18267) is a 5-oxo-2-furylacetic acid (CHEBI:23730)
5-oxo-4,5-dihydro-2-furylacetic acid (CHEBI:18267) is conjugate acid of 5-oxo-4,5-dihydro-2-furylacetate (CHEBI:58425)
Incoming 5-oxo-4,5-dihydro-2-furylacetate (CHEBI:58425) is conjugate base of 5-oxo-4,5-dihydro-2-furylacetic acid (CHEBI:18267)
IUPAC Name
(5-oxo-4,5-dihydrofuran-2-yl)acetic acid
Synonyms Sources
2-Oxo-2,3-dihydrofuran-5-acetate KEGG COMPOUND
3-oxoadipate enol-lactone ChEBI
3-Oxoadipate enol-lactone KEGG COMPOUND
4,5-Dihydro-5-oxofuran-2-acetate KEGG COMPOUND
5-oxo-4,5-dihydrofuran-2-acetate ChEBI
5-Oxo-4,5-dihydrofuran-2-acetate KEGG COMPOUND
Manual Xrefs Databases
3-OXOADIPATE-ENOL-LACTONE MetaCyc
C00007489 KNApSAcK
C03586 KEGG COMPOUND
View more database links
Registry Number Type Source
120576 Reaxys Registry Number Reaxys
Citations
Last Modified
11 November 2014