1.0 2020-03-26 06:06:05 UTC 2020-04-22 19:46:55 UTC BMDB0104153 TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) Triacylglycerol TG(18:1/22:6/18:1) Triglyceride Tracylglycerol(58:8) TAG(58:8) TAG(18:1/22:6/18:1) Tracylglycerol(18:1/22:6/18:1) 1-Oleoyl-2-docosahexaenoyl-3-oleoyl-glycerol 1-(9Z-Octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-3-(9Z-octadecenoyl)-glycerol TG(58:8) TG(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) C61H102O6 931.459 930.767640996 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-33,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46- CSLUIVLBJBQZKV-PMOZUUOTSA-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 10.68 ALOGPS logs -8.27 ALOGPS logp 20.47 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9Z)-octadec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 931.459 ChemAxon mono_mass 930.767640996 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C61H102O6 ChemAxon inchi InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h7,10,16,19,25-28,30-33,37,40,46,49,58H,4-6,8-9,11-15,17-18,20-24,29,34-36,38-39,41-45,47-48,50-57H2,1-3H3/b10-7-,19-16-,28-25-,31-30-,32-26-,33-27-,40-37-,49-46- ChemAxon inchikey CSLUIVLBJBQZKV-PMOZUUOTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.23 ChemAxon polarizability 119.74 ChemAxon rotatable_bond_count 52 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 584722 Specdb::MsMs 584723 Specdb::MsMs 584724 Specdb::MsMs 2307144 Specdb::MsMs 2307145 Specdb::MsMs 2307146 Specdb::MsMs 2779366 Specdb::MsMs 2779367 Specdb::MsMs 2779368 Specdb::MsMs 2902656 Specdb::MsMs 2902657 Specdb::MsMs 2902658 Specdb::MsMs 3050513 Specdb::MsMs 3050514 Specdb::MsMs 3050515 Specdb::MsMs 3061844 Specdb::MsMs 3061845 Specdb::MsMs 3061846 9941126