| BioID | bio199516 |
|---|
| Name | 2-Oxoisohexanoate |
|---|
| ChEMBL ID | CHEMBL445647 |
|---|
| Molecular Formula | C6H10O3 |
|---|
| Molecular Weight | 130.14 |
|---|
| Molecular Weight (Monoisotopic) | 130.063 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | 2-Oxoisohexanoate|alpha-Ketoisocaproate|alpha-Oxoisohexanoate |
|---|
| Smiles | CC(C)CC(=O)C(=O)O |
|---|
| Inchi | InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9) |
|---|
| Inchi Key | BKAJNAXTPSGJCU-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 4.0 |
|---|
| Bioactivities | 6.0 |
|---|
| Np Likeness Score | 0.54 |
|---|
| Records Key | ['(Alpha-keto acid) ; table 2', 'alpha-Ketoisocaproate', 'alpha-Oxoisohexanoate', 'alpha-Ketoisocaproate', '2-Oxoisohexanoate'] |
|---|
| Records Name | ['4-Methyl-2-oxo-pentanoic acid', 'alpha-Ketoisocaproate', 'alpha-Oxoisohexanoate', 'alpha-Ketoisocaproate', '2-Oxoisohexanoate'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
