1.0 2016-09-30 22:37:51 UTC 2020-05-05 18:37:28 UTC BMDB0000872 BMDB00872 Tetradecanedioic acid 1,12-Dodecanedicarboxylic acid 1,14-Tetradecanedioic acid Dodecamethylenedicarboxylic acid NSC 9504 Tetradecane-1,14-dioic acid 1,12-Dodecanedicarboxylate 1,14-Tetradecanedioate Dodecamethylenedicarboxylate Tetradecane-1,14-dioate Tetradecanedioate Tetradecanedicarboxylate Tetradecanedicarboxylic acid C14H26O4 258.3538 258.18310932 tetradecanedioic acid tetradecanedioic acid 821-38-5 OC(=O)CCCCCCCCCCCCC(O)=O InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18) HQHCYKULIHKCEB-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Carbonyl compounds Carboxylic acids Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Long-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds Dicarboxylic acids alpha,omega-dicarboxylic acid Solid water_solubility 0.2 mg/mL logp 3.63 ALOGPS logs -3.85 ALOGPS logp 4.05 ChemAxon pka_strongest_acidic 4.65 ChemAxon iupac tetradecanedioic acid ChemAxon average_mass 258.3538 ChemAxon mono_mass 258.18310932 ChemAxon smiles OC(=O)CCCCCCCCCCCCC(O)=O ChemAxon formula C14H26O4 ChemAxon inchi InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18) ChemAxon inchikey HQHCYKULIHKCEB-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 69.55 ChemAxon polarizability 31.11 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 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::NmrTwoD 1519 Specdb::CMs 1908 Specdb::CMs 22578 Specdb::CMs 31252 Specdb::CMs 37816 Specdb::CMs 133391 Specdb::CMs 141125 Specdb::CMs 1080704 Specdb::CMs 1080706 Specdb::CMs 1080708 Specdb::NmrOneD 1577 Specdb::NmrOneD 166535 Specdb::NmrOneD 166679 Specdb::MsMs 1229 Specdb::MsMs 1230 Specdb::MsMs 1231 Specdb::MsMs 316141 Specdb::MsMs 316142 Specdb::MsMs 316143 Specdb::MsMs 362314 Specdb::MsMs 362315 Specdb::MsMs 362316 Specdb::MsMs 2714848 Specdb::MsMs 2714849 Specdb::MsMs 2714850 Specdb::MsMs 2967438 Specdb::MsMs 2967439 Specdb::MsMs 2967440 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 FDB022293 12630 C00053820 13185 76308 5833 Chen, Yuandong; Hao, Xiuzhen. Method for producing tetradecanedioic acid by bioconversion of n-tetradecane. Faming Zhuanli Shenqing Gongkai Shuomingshu (2002), 10 pp.