1.0 2016-09-30 22:36:28 UTC 2020-05-05 18:37:22 UTC BMDB0000782 BMDB00782 Octadecanedioic acid 1,16-Hexadecanedicarboxylic acid 1,18-Octadecadioic acid 1,18-Octadecanedioic acid Octadecane-1,18-dioic acid 1,16-Hexadecanedicarboxylate 1,18-Octadecadioate 1,18-Octadecanedioate Octadecane-1,18-dioate Octadecanedioate C18H34O4 314.4602 314.245709576 octadecanedioic acid octadecanedioic acid 871-70-5 OC(=O)CCCCCCCCCCCCCCCCC(O)=O InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22) BNJOQKFENDDGSC-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 Solid logp 5.86 ALOGPS logs -5.50 ALOGPS logp 5.83 ChemAxon pka_strongest_acidic 4.65 ChemAxon iupac octadecanedioic acid ChemAxon average_mass 314.4602 ChemAxon mono_mass 314.245709576 ChemAxon smiles OC(=O)CCCCCCCCCCCCCCCCC(O)=O ChemAxon formula C18H34O4 ChemAxon inchi InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22) ChemAxon inchikey BNJOQKFENDDGSC-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 87.95 ChemAxon polarizability 39.65 ChemAxon rotatable_bond_count 17 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1483 Specdb::CMs 14854 Specdb::CMs 37760 Specdb::CMs 131497 Specdb::CMs 139231 Specdb::CMs 1076060 Specdb::CMs 1076062 Specdb::CMs 1076064 Specdb::MsMs 1113 Specdb::MsMs 1114 Specdb::MsMs 1115 Specdb::MsMs 298828 Specdb::MsMs 298829 Specdb::MsMs 298830 Specdb::MsMs 340705 Specdb::MsMs 340706 Specdb::MsMs 340707 Specdb::MsMs 439953 Specdb::MsMs 450232 Specdb::MsMs 2255647 Specdb::MsMs 2382650 Specdb::MsMs 2382651 Specdb::MsMs 2382652 Specdb::MsMs 2580126 Specdb::MsMs 2580127 Specdb::MsMs 2580128 Specdb::NmrOneD 1538 Specdb::NmrOneD 337008 Specdb::NmrOneD 337009 Specdb::NmrOneD 337010 Specdb::NmrOneD 337011 Specdb::NmrOneD 337012 Specdb::NmrOneD 337013 Specdb::NmrOneD 337014 Specdb::NmrOneD 337015 Specdb::NmrOneD 337016 Specdb::NmrOneD 337017 Specdb::NmrOneD 337018 Specdb::NmrOneD 337019 Specdb::NmrOneD 337020 Specdb::NmrOneD 337021 Specdb::NmrOneD 337022 Specdb::NmrOneD 337023 Specdb::NmrOneD 337024 Specdb::NmrOneD 337025 Specdb::NmrOneD 337026 Specdb::NmrOneD 337027 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 FDB022239 63283 133086 70095 5748 Drake, Nathan L.; Melamed, Sidney. Tetratriacontanoic acid and related compounds. Journal of the American Chemical Society (1948), 70 364-7.