Showing Metabocard for 3-dehydrocarnitine (BASm0003032)
| Common Name | 3-dehydrocarnitine |
|---|---|
| Description | 3-Dehydrocarnitine is a member of the carnitine family that is an intermediate in carnitine degradation. It can be formed from either D-carnitine or L-carnitine and the enzyme responsible for this oxidation reaction is (S)-carnitine 3-dehydrogenase (EC 1.1.1.254) or carnitine 3-dehydrogenase (EC 1.1.1.108), respectively. Carnitine is a quaternary ammonium compound biosynthesized from the amino acids lysine and methionine. In living cells, it is required for the transport of fatty acids from the cytosol into the mitochondria during the breakdown of lipids (or fats) for the generation of metabolic energy. |
| Structure | |
| Molecular Formula | C7H13NO3 |
| Average Mass | 159.18300 |
| Monoisotopic Mass | 159.08954 |
| IUPAC Name | 3-oxo-4-(trimethylazaniumyl)butanoate |
| Traditional Name | 3-oxo-4-(trimethylaminio)butanoate |
| CAS Registry Number | 10457-99-5 |
| SMILES | C[N+](C)(C)CC(=O)CC(=O)[O-] |
| InChI Identifier | InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3 |
| InChI Key | YNOWULSFLVIUDH-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:57885 |
| HMDB ID | HMDB0012154 |
| State | Not Available |
| Water Solubility | 1.04e+00 g/l |
| logP | -2.21 |
| logS | -2.31 |
| pKa (Strongest Acidic) | 3.94 |
| pKa (Strongest Basic) | -8.73 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 0 |
| Polar Surface Area | 57.2 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 62.72 m³·mol⁻¹ |
| Polarizability | 16.08 |