1.0 2020-03-26 02:15:24 UTC 2020-04-22 19:32:25 UTC BMDB0101862 TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) 1-Lignoceroyl-2-docosahexaenoyl-3-palmitoleoyl-glycerol 1-Tetracosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-hexadecenoyl)-glycerol TAG(24:0/22:6/16:1) TAG(62:7) TG(24:0/22:6/16:1) TG(62:7) Tracylglycerol(24:0/22:6/16:1) Tracylglycerol(62:7) Triacylglycerol Triglyceride TG(24:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) C65H112O6 989.605 988.845891326 (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl tetracosanoate (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-,53-50-/t62-/m1/s1 LKFWQGWUWHPNGQ-HXKZEZFGSA-N belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Triacylglycerols Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.92 ALOGPS logs -8.14 ALOGPS logp 22.61 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl tetracosanoate ChemAxon average_mass 989.605 ChemAxon mono_mass 988.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C65H112O6 ChemAxon inchi InChI=1S/C65H112O6/c1-4-7-10-13-16-19-22-25-27-29-31-32-34-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-36-33-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,28,33,36,41,44,50,53,62H,4-7,9-10,12-16,18-19,22-23,25,27,29-32,34-35,37-40,42-43,45-49,51-52,54-61H2,1-3H3/b11-8-,20-17-,24-21-,28-26-,36-33-,44-41-,53-50-/t62-/m1/s1 ChemAxon inchikey LKFWQGWUWHPNGQ-HXKZEZFGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 313.52 ChemAxon polarizability 129.99 ChemAxon rotatable_bond_count 57 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 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::MsMs 672907 Specdb::MsMs 672908 Specdb::MsMs 672909 Specdb::MsMs 965704 Specdb::MsMs 965705 Specdb::MsMs 965706 Specdb::MsMs 2270722 Specdb::MsMs 2270723 Specdb::MsMs 2270724 Specdb::MsMs 2401874 Specdb::MsMs 2401875 Specdb::MsMs 2401876 Specdb::MsMs 3015657 Specdb::MsMs 3015658 Specdb::MsMs 3015659 Specdb::MsMs 3056174 Specdb::MsMs 3056175 Specdb::MsMs 3056176 Specdb::MsMs 3110753 Specdb::MsMs 3110754 Specdb::MsMs 3110755 131758521