1.0 2020-03-26 09:35:25 UTC 2020-04-22 20:03:33 UTC BMDB0106762 TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(15Z-tetracosanoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-g-Linolenoyl-2-nervonoyl-3-a-linolenoyl-glycerol TAG(18:3/24:1/18:3) TAG(60:7) TG(18:3/24:1/18:3) TG(60:7) Tracylglycerol(18:3/24:1/18:3) Tracylglycerol(60:7) Triacylglycerol Triglyceride TG(18:3(6Z,9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) C63H108O6 961.551 960.814591198 (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,41,44,60H,4-7,9-10,12-16,19,22-24,29-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,44-41-/t60-/m1/s1 DYCGMFSFBNADLT-CRSOEUICSA-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 10.83 ALOGPS logs -8.09 ALOGPS logp 21.73 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 961.551 ChemAxon mono_mass 960.814591198 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H108O6 ChemAxon inchi InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-32-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-26-23-20-17-14-11-8-5-2)59-68-62(65)56-53-50-47-44-41-38-35-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,34-35,41,44,60H,4-7,9-10,12-16,19,22-24,29-33,36-40,42-43,45-59H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,34-26-,35-27-,44-41-/t60-/m1/s1 ChemAxon inchikey DYCGMFSFBNADLT-CRSOEUICSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 304.32 ChemAxon polarizability 125.83 ChemAxon rotatable_bond_count 55 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::CMs 194273 Specdb::MsMs 632440 Specdb::MsMs 632441 Specdb::MsMs 632442 Specdb::MsMs 949705 Specdb::MsMs 949706 Specdb::MsMs 949707 Specdb::MsMs 2471811 Specdb::MsMs 2471812 Specdb::MsMs 2471813 Specdb::MsMs 2494574 Specdb::MsMs 2494575 Specdb::MsMs 2494576 Specdb::MsMs 2612713 Specdb::MsMs 2612714 Specdb::MsMs 2612715 Specdb::MsMs 2717811 Specdb::MsMs 2717812 Specdb::MsMs 2717813 Specdb::MsMs 2867853 Specdb::MsMs 2867854 Specdb::MsMs 2867855 131763699