CHEBI:48068 - (S)-5-oxo-2,5-dihydro-2-furylacetic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-5-oxo-2,5-dihydro-2-furylacetic acid
ChEBI ID CHEBI:48068
ChEBI ASCII Name (S)-5-oxo-2,5-dihydro-2-furylacetic acid
Definition The (S)-enantiomer of 5-oxo-2,5-dihydro-2-furylacetic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39431, CHEBI:34016
Supplier Information
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/h1-2,4H,3H2,(H,7,8)/t4-/m1/s1
InChIKey HPEKPJGPWNSAAV-SCSAIBSYSA-N
SMILES OC(=O)C[C@@H]1OC(=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48068) is a 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080)
(S)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48068) is conjugate acid of (S)-5-oxo-2,5-dihydro-2-furylacetate (CHEBI:58736)
(S)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48068) is enantiomer of (R)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48069)
Incoming (S)-5-oxo-2,5-dihydro-2-furylacetate (CHEBI:58736) is conjugate base of (S)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48068)
(R)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48069) is enantiomer of (S)-5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:48068)
IUPAC Name
[(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Synonyms Sources
(+)-Muconolactone KEGG COMPOUND
(S)-5-Oxo-2,5-dihydrofuran-2-acetate KEGG COMPOUND
(S)-5-oxo-2,5-dihydrofuran-2-acetic acid UniProt
Manual Xrefs Databases
C14610 KEGG COMPOUND
MUC PDBeChem
View more database links
Registry Number Type Source
81227 Beilstein Registry Number Beilstein
Last Modified
28 July 2014