1.0 2020-03-26 03:25:53 UTC 2020-04-22 19:35:18 UTC BMDB0102318 TG(14:1(9Z)/22:2(13Z,16Z)/24:1(15Z)) 1-(9Z-Tetradecenoyl)-2-(13Z,16Z-docosadienoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Myristoleoyl-2-docosadienoyl-3-nervonoyl-glycerol TAG(14:1/22:2/24:1) TAG(60:4) TG(14:1/22:2/24:1) TG(60:4) Tracylglycerol(14:1/22:2/24:1) Tracylglycerol(60:4) Triacylglycerol Triglyceride TG(14:1(9Z)/22:2(13Z,16Z)/24:1(15Z)) C63H114O6 967.599 966.861541391 (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t60-/m0/s1 XVGWHPBTFCPJEQ-QDUPTCFUSA-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 10.78 ALOGPS logs -8.22 ALOGPS logp 22.81 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-[(13Z,16Z)-docosa-13,16-dienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 967.599 ChemAxon mono_mass 966.861541391 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC ChemAxon formula C63H114O6 ChemAxon inchi InChI=1S/C63H114O6/c1-4-7-10-13-16-19-22-24-26-28-30-31-33-34-36-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-37-35-32-29-27-25-23-20-17-14-11-8-5-2/h15,17-18,20,24-27,60H,4-14,16,19,21-23,28-59H2,1-3H3/b18-15-,20-17-,26-24-,27-25-/t60-/m0/s1 ChemAxon inchikey XVGWHPBTFCPJEQ-QDUPTCFUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 300.97 ChemAxon polarizability 128.74 ChemAxon rotatable_bond_count 58 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 601204 Specdb::MsMs 601205 Specdb::MsMs 601206 Specdb::MsMs 937000 Specdb::MsMs 937001 Specdb::MsMs 937002 Specdb::MsMs 2458397 Specdb::MsMs 2458398 Specdb::MsMs 2458399 Specdb::MsMs 2751934 Specdb::MsMs 2751935 Specdb::MsMs 2751936 Specdb::MsMs 2886032 Specdb::MsMs 2886033 Specdb::MsMs 2886034 Specdb::MsMs 2894606 Specdb::MsMs 2894607 Specdb::MsMs 2894608 Specdb::MsMs 2930856 Specdb::MsMs 2930857 Specdb::MsMs 2930858 131759032