1.0 2020-03-26 09:04:43 UTC 2020-04-22 20:00:57 UTC BMDB0106351 TG(18:2(9Z,12Z)/24:1(15Z)/18:2(9Z,12Z)) 1-(9Z,12Z-Octadecadienoyl)-2-(15Z-tetracosanoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Linoleoyl-2-nervonoyl-3-linoleoyl-glycerol TAG(18:2/24:1/18:2) TAG(60:5) TG(18:2/24:1/18:2) TG(60:5) Tracylglycerol(18:2/24:1/18:2) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/24:1(15Z)/18:2(9Z,12Z)) C63H112O6 965.583 964.845891326 1,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate 1,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate [H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H112O6/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/h17-18,20-21,25-28,34-35,60H,4-16,19,22-24,29-33,36-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27- POKWAFRJAZNFSU-NWOKJHHTSA-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 10.86 ALOGPS logs -8.22 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac 1,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H]C(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/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/h17-18,20-21,25-28,34-35,60H,4-16,19,22-24,29-33,36-59H2,1-3H3/b20-17-,21-18-,28-25-,34-26-,35-27- ChemAxon inchikey POKWAFRJAZNFSU-NWOKJHHTSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 127.43 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 602287 Specdb::MsMs 602288 Specdb::MsMs 602289 Specdb::MsMs 937390 Specdb::MsMs 937391 Specdb::MsMs 937392 Specdb::MsMs 2437987 Specdb::MsMs 2437988 Specdb::MsMs 2437989 Specdb::MsMs 2556990 Specdb::MsMs 2556991 Specdb::MsMs 2556992 Specdb::MsMs 2683659 Specdb::MsMs 2683660 Specdb::MsMs 2683661 Specdb::MsMs 2770154 Specdb::MsMs 2770155 Specdb::MsMs 2770156 Specdb::MsMs 3021732 Specdb::MsMs 3021733 Specdb::MsMs 3021734 131763271