| Compound Information | SONAR Target prediction |
| Name: | 2-Keto-L-Gluonic Acid |
| Unique Identifier: | LAT006A08 |
| MolClass: | Checkout models in ver1.5 and ver1.0 |
| Molecular Formula: | C6H8O6 |
| Molecular Weight: | 168.061 g/mol |
| X log p: | 0.524 (online calculus) |
| Lipinksi Failures | 0 |
| TPSA | 26.3 |
| Hydrogen Bond Donor Count: | 0 |
| Hydrogen Bond Acceptors Count: | 6 |
| Rotatable Bond Count: | 2 |
| Canonical Smiles: | OCC(O)C1OC(O)=C(O)C1=O |
| Generic_name: | Vitamin C |
| Chemical_iupac_name: | 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one |
| Drug_type: | Approved Drug |
| Pharmgkb_id: | PA451898 |
| Kegg_compound_id: | C00072 |
| Drugbank_id: | APRD00084 |
| Melting_point: | 191 oC |
| H2o_solubility: | 4E+005 mg/L |
| Logp: | -1.305 |
| Isoelectric_point: | 4.7 |
| Cas_registry_number: | 50-81-7 |
| Mass_spectrum: | http://webbook.nist.gov/cgi/cbook.cgi?Spec=C50817&Index=0&Type=Mass&Large=on |
| Drug_category: | Antioxidants; Essential Vitamin; Free Radical Scavengers; Vitamins(Vitamin C); ATC:A11GA01 |
| Indication: | Used to treat vitamin C deficiency, scurvy, delayed wound and bone healing, urine acidification, and in general as an antioxidant. It has also been suggested to be an effective antiviral agent. |
| Pharmacology: | Ascorbic Acid (vitamin C) is a water-soluble vitamin indicated for the prevention and treatment of scurvy, as ascorbic acid deficiency results in scurvy. Collagenous structures are primarily affected, and lesions develop in bones and blood vessels. Administration of ascorbic acid completely reverses the symptoms of ascorbic acid deficiency. |
| Mechanism_of_action: | In humans, an exogenous source of ascorbic acid is required for collagen formation and tissue repair by acting as a cofactor in the posttranslational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins. Ascorbic acid is reversibly oxidized to dehydroascorbic acid in the body. These two forms of the vitamin are believed to be important in oxidation-reduction reactions. The vitamin is involved in tyrosine metabolism, conversion of folic acid to folinic acid, carbohydrate metabolism, synthesis of lipids and proteins, iron metabolism, resistance to infections, and cellular respiration. |
| Organisms_affected: | Humans and other mammals |
| Found: 5 nonactive as graph: single | with analogs | 1 2 3 4 5 Next >> |
| Species: | 4932 |
| Condition: | pdr18h |
| Replicates: | 2 |
| Raw OD Value: r im | 0.6131±0.00155563 |
| Normalized OD Score: sc h | 1.0080±0.0181679 |
| Z-Score: | 0.3485±0.490092 |
| p-Value: | 0.742748 |
| Z-Factor: | -6.90452 |
| Fitness Defect: | 0.2974 |
| Bioactivity Statement: | Nonactive |
| ps |
| DBLink | Rows returned: 48 | 1 2 3 4 5 6 7 8 Next >> |
| 235 | 2-(1,2-dihydroxyethyl)-4,5-dihydroxy-furan-3-one |
| 5785 | (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one |
| 6981 | (2R)-2-[(1R)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one |
| 21967 | calcium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-furan-2-olate |
| 21968 | 2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one |
| 22878 | sodium 5-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-4-oxo-furan-2-olate |
| internal high similarity DBLink | Rows returned: 0 |
| active | Cluster 176 | Additional Members: 3 | Rows returned: 0 |
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