EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:48068 - (S)-5-oxo-2,5-dihydro-2-furylacetic acid
| Formula | C6H6O4 |
| Net Charge | 0 |
| Average Mass | 142.110 |
| Monoisotopic Mass | 142.02661 |
| SMILES | O=C(O)C[C@H]1C=CC(=O)O1 |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (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 Relation(s) |
| (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 | Source |
|---|---|
| (S)-5-Oxo-2,5-dihydrofuran-2-acetate | KEGG COMPOUND |
| (+)-Muconolactone | KEGG COMPOUND |