1.0 2011-09-21 01:45:18 UTC 2025-11-19 02:56:07 UTC FDB028811 3-Dehydrocarnitine 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. [HMDB] 3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium 3-carboxy-N,N,N-trimethyl-2-oxopropan-1-aminium 3-oxo-4-(Trimethylammonio)butanoate 3-oxo-4-(Trimethylammonio)butanoic acid C7H13NO3 159.183 159.089543287 3-oxo-4-(trimethylazaniumyl)butanoate 3-dehydrocarnitine 10457-99-5 C[N+](C)(C)CC(=O)CC([O-])=O InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3 YNOWULSFLVIUDH-UHFFFAOYSA-N belongs to the class of organic compounds known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. Short-chain keto acids and derivatives Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Aliphatic acyclic compounds 1,3-dicarbonyl compounds Alpha-amino ketones Amines Beta-keto acids and derivatives Carboxylic acid salts Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organic salts Organopnictogen compounds Tetraalkylammonium salts 1,3-dicarbonyl compound Aliphatic acyclic compound Alpha-aminoketone Amine Beta-keto acid Carbonyl group Carboxylic acid Carboxylic acid derivative Carboxylic acid salt Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic nitrogen compound Organic oxide Organic oxygen compound Organic salt Organonitrogen compound Organooxygen compound Organopnictogen compound Quaternary ammonium salt Short-chain keto acid Tetraalkylammonium salt a small molecule ammonium betaine Solid logp -2.21 ALOGPS logs -2.31 ALOGPS solubility 1.04e+00 g/l ALOGPS logp -4.3 ChemAxon pka_strongest_acidic 3.94 ChemAxon pka_strongest_basic -8.7 ChemAxon iupac 3-oxo-4-(trimethylazaniumyl)butanoate ChemAxon average_mass 159.183 ChemAxon mono_mass 159.089543287 ChemAxon smiles C[N+](C)(C)CC(=O)CC([O-])=O ChemAxon formula C7H13NO3 ChemAxon inchi InChI=1S/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3 ChemAxon inchikey YNOWULSFLVIUDH-UHFFFAOYSA-N ChemAxon polar_surface_area 57.2 ChemAxon refractivity 62.72 ChemAxon polarizability 16.08 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2672 Specdb::MsIr 2673 Specdb::CMs 20736 Specdb::CMs 134088 Specdb::CMs 141822 Specdb::MsMs 312193 Specdb::MsMs 312194 Specdb::MsMs 312195 Specdb::MsMs 357379 Specdb::MsMs 357380 Specdb::MsMs 357381 Specdb::MsMs 2785270 Specdb::MsMs 2785271 Specdb::MsMs 2785272 Specdb::MsMs 2923678 Specdb::MsMs 2923679 Specdb::MsMs 2923680 HMDB12154 16758 Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823