1.0 2016-09-30 22:34:41 UTC 2020-05-05 18:37:12 UTC BMDB0000672 BMDB00672 Hexadecanedioic acid 1,14-Tetradecanedicarboxylic acid 1,16-Hexadecanedioic acid Thapsic acid 1,14-Tetradecanedicarboxylate 1,16-Hexadecanedioate Thapsate Hexadecanedioate Α,ω-tetrαdecαnedicαrboxylαte N-Tetradecane-ω,ω'-dicarboxylate N-Tetradecane-ω,ω'-dicarboxylic acid alpha,Omega-tetradecanedicarboxylic acid N-Tetradecane-omega,omega'-dicarboxylic acid N-Tetradecane-ω,ω’-dicarboxylic acid Α,ω-tetradecanedicarboxylic acid Hexadecanedioic acid C16H30O4 286.407 286.214409448 hexadecanedioic acid hexadecanedioic acid 505-54-4 OC(=O)CCCCCCCCCCCCCCC(O)=O InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) QQHJDPROMQRDLA-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 melting_point 120 - 123 °C logp 4.68 ALOGPS logs -4.70 ALOGPS logp 4.94 ChemAxon pka_strongest_acidic 4.65 ChemAxon iupac hexadecanedioic acid ChemAxon average_mass 286.407 ChemAxon mono_mass 286.214409448 ChemAxon smiles OC(=O)CCCCCCCCCCCCCCC(O)=O ChemAxon formula C16H30O4 ChemAxon inchi InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) ChemAxon inchikey QQHJDPROMQRDLA-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 78.75 ChemAxon polarizability 35.37 ChemAxon rotatable_bond_count 15 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::NmrOneD 1470 Specdb::NmrOneD 3885 Specdb::NmrOneD 4156 Specdb::NmrTwoD 1415 Specdb::EiMs 1825 Specdb::CMs 17169 Specdb::CMs 37689 Specdb::CMs 170729 Specdb::CMs 1072350 Specdb::CMs 1072351 Specdb::CMs 1072353 Specdb::MsMs 927 Specdb::MsMs 928 Specdb::MsMs 929 Specdb::MsMs 303973 Specdb::MsMs 303974 Specdb::MsMs 303975 Specdb::MsMs 347044 Specdb::MsMs 347045 Specdb::MsMs 347046 Specdb::MsMs 1477263 Specdb::MsMs 1477264 Specdb::MsMs 1477265 Specdb::MsMs 1477266 Specdb::MsMs 1477267 Specdb::MsMs 1477268 Specdb::MsMs 1477269 Specdb::MsMs 1477270 Specdb::MsMs 1477271 Specdb::MsMs 1477272 Specdb::MsMs 1477273 Specdb::MsMs 1477274 Specdb::MsMs 1477275 Specdb::MsMs 1477276 Specdb::MsMs 1477277 Specdb::MsMs 1477278 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 FDB003049 10027 10459 C19615 73722 C00007429 CPD-10511 Thapsic acid 5642 Kreuchunas, Algird. The synthesis of higher aliphatic a,w-dicarboxylic acids. Journal of the American Chemical Society (1953), 75 3339-44.