1.0 2016-10-03 18:33:17 UTC 2020-05-05 18:38:33 UTC BMDB0012154 BMDB12154 3-Dehydrocarnitine 3-oxo-4-(Trimethylammonio)butanoate 3-oxo-4-(Trimethylammonio)butanoic acid 3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium 3-Carboxy-N,N,N-trimethyl-2-oxopropan-1-aminium 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. Organic compounds Organic acids and derivatives Keto acids and derivatives Short-chain keto acids and derivatives Short-chain keto acids and derivatives 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 Aliphatic acyclic compounds a small molecule ammonium betaine Solid logp -2.21 ALOGPS logs -2.31 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 number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 20736 Specdb::CMs 134088 Specdb::CMs 141822 Specdb::MsIr 2672 Specdb::MsIr 2673 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 Liver Metabolomics analysis was performed using GC-MS/LC-MS in multiparous Holstein dairy cows Shahzad K, Lopreiato V, Liang Y, Trevisi E, Osorio JS, Xu C, Loor JJ: Hepatic metabolomics and transcriptomics to study susceptibility to ketosis in response to prepartal nutritional management. J Anim Sci Biotechnol. 2019 Dec 18;10:96. doi: 10.1186/s40104-019-0404-z. eCollection 2019. 31867104 FDB028811 6991982 5360148 C02636 57885 3-DE-H-CARNITINE 3-Dehydrocarnitine