Showing Metabocard for 2-dehydropantoate (BASm0000251)
| Common Name | 2-dehydropantoate |
|---|---|
| Description | 2-dehydropantoate belongs to the class of Branched Fatty Acids. These are fatty acids containing a branched chain. (inferred from compound structure)2-dehydropantoate is invovled in Pantothenate and CoA biosynthesis, and Biosynthesis of secondary metabolites. (KEGG) |
| Structure | |
| Molecular Formula | C6H9O4 |
| Average Mass | 145.13330 |
| Monoisotopic Mass | 145.05008 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(C)(CO)C(=O)C(=O)[O-] |
| InChI Identifier | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)/p-1 |
| InChI Key | PKVVTUWHANFMQC-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:11561 |
| MiMeDB ID | MMDBc0029766 |
| State | Expected Solid |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |