1.0 2020-03-31 16:40:26 UTC 2020-05-05 18:38:53 UTC BMDB0109631 Cervonic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid 22:6(N-3) 22:6-4, 7,10,13,16,19 4,7,10,13,16,19-Docosahexaenoic acid all-cis-4,7,10,13,16,19-Docosahexaenoic acid all-cis-DHA Cervonic acid DHA Doconexent DOCOSA-4,7,10,13,16,19-hexaenoIC ACID Docosahexaenoate 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoate 4,7,10,13,16,19-Docosahexaenoate all-cis-4,7,10,13,16,19-Docosahexaenoate Cervonate DOCOSA-4,7,10,13,16,19-hexaenoate 4Z,7Z,10Z,13Z,16Z,19Z-Docosahexaenoate (4Z,7Z,10Z,13Z,16Z,19Z)-Docosa-4,7,10,13,16,19-hexaenoate all-Z-Docosahexaenoate all-Z-Docosahexaenoic acid cis-4,7,10,13,16,19-Docosahexanoate cis-4,7,10,13,16,19-Docosahexanoic acid Doconexento Doconexentum Doxonexent Acids, docosahexaenoic Acids, docosahexenoic Docosahexaenoic acid, 4,7,10,13,16,19-(all-Z-isomer) Docosahexaenoic acid (all-Z isomer) Docosahexaenoic acid, 4,7,10,13,16,19-isomer Efalex (4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,16,19-Docosahexaenoic acid (4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexenoic acid (all-Z)-4,7,10,13,16,19-Docosahexaenoic acid 4-cis,7-cis,10-cis,13-cis,16-cis,19-cis-Docosahexaenoic acid FA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)) FA(22:6n3) delta4,7,10,13,16,19-Docosahexaenoic acid Δ4,7,10,13,16,19-docosahexaenoic acid Docosahexaenoic acid Choline docosahexaenoate Choline docosahexaenoic acid Docosahexaenoylcholine C22H32O2 328.4883 328.240230268 (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid docosahexaenoic acid 6217-54-5 CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- MBMBGCFOFBJSGT-KUBAVDMBSA-N belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Very long-chain fatty acids Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Straight chain fatty acids Unsaturated fatty acids Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Straight chain fatty acid Unsaturated fatty acid Very long-chain fatty acid Aliphatic acyclic compounds Docosanoids Polyunsaturated fatty acids Unsaturated fatty acids Unsaturated fatty acids docosahexaenoic acid omega-3 fatty acid logp 6.83 ALOGPS logs -6.25 ALOGPS logp 6.75 ChemAxon pka_strongest_acidic 4.89 ChemAxon iupac (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid ChemAxon average_mass 328.4883 ChemAxon mono_mass 328.240230268 ChemAxon smiles CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O ChemAxon formula C22H32O2 ChemAxon inchi InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18- ChemAxon inchikey MBMBGCFOFBJSGT-KUBAVDMBSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 111.39 ChemAxon polarizability 38.63 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 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::CMs 2019 Specdb::CMs 21596 Specdb::CMs 31398 Specdb::CMs 38302 Specdb::CMs 169640 Specdb::EiMs 1558 Specdb::NmrOneD 290055 Specdb::NmrOneD 290056 Specdb::NmrOneD 290057 Specdb::NmrOneD 290058 Specdb::NmrOneD 290059 Specdb::NmrOneD 290060 Specdb::NmrOneD 290061 Specdb::NmrOneD 290062 Specdb::NmrOneD 290063 Specdb::NmrOneD 290064 Specdb::NmrOneD 290065 Specdb::NmrOneD 290066 Specdb::NmrOneD 290067 Specdb::NmrOneD 290068 Specdb::NmrOneD 290069 Specdb::NmrOneD 290070 Specdb::NmrOneD 290071 Specdb::NmrOneD 290072 Specdb::NmrOneD 290073 Specdb::NmrOneD 290074 Specdb::MsMs 44187 Specdb::MsMs 44188 Specdb::MsMs 44189 Specdb::MsMs 177150 Specdb::MsMs 177151 Specdb::MsMs 177152 Specdb::MsMs 438657 Specdb::MsMs 440662 Specdb::MsMs 440663 Specdb::MsMs 2238158 Specdb::MsMs 2239403 Specdb::MsMs 2244459 Specdb::MsMs 2245638 Specdb::MsMs 2246621 Specdb::MsMs 2247678 Specdb::MsMs 2248600 Specdb::MsMs 2249772 Specdb::MsMs 2250607 Specdb::MsMs 2251795 Specdb::MsMs 2255382 Specdb::MsMs 2311109 Specdb::MsMs 2311110 Specdb::MsMs 2311111 Specdb::MsMs 2651489 Specdb::MsMs 2651490 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 DB03756 FDB003003 393183 445580 C06429 28125 1586190 Docosahexaenoic_acid 3457 CPD-10244