1.0 2020-03-25 20:35:16 UTC 2020-04-22 19:12:39 UTC BMDB0098737 TG(16:0/20:1(11Z)/24:1(15Z)) 1-Hexadecanoyl-2-(11-eicosenoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Palmitoyl-2-eicosenoyl-3-nervonoyl-glycerol TAG(16:0/20:1/24:1) TAG(60:2) TG(16:0/20:1/24:1) TG(60:2) Tracylglycerol(16:0/20:1/24:1) Tracylglycerol(60:2) Triacylglycerol Triglyceride TG(16:0/20:1(11Z)/24:1(15Z)) C63H118O6 971.631 970.89284152 (2S)-3-(hexadecanoyloxy)-2-[(11Z)-icos-11-enoyloxy]propyl (15Z)-tetracos-15-enoate (2S)-3-(hexadecanoyloxy)-2-[(11Z)-icos-11-enoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-/t60-/m0/s1 YADRKXZELPOCPI-UXCFDMNKSA-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 10.74 ALOGPS logs -8.08 ALOGPS logp 23.54 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(11Z)-icos-11-enoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 971.631 ChemAxon mono_mass 970.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C63H118O6 ChemAxon inchi InChI=1S/C63H118O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h25-28,60H,4-24,29-59H2,1-3H3/b27-25-,28-26-/t60-/m0/s1 ChemAxon inchikey YADRKXZELPOCPI-UXCFDMNKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 298.74 ChemAxon polarizability 131.65 ChemAxon rotatable_bond_count 60 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 682534 Specdb::MsMs 682535 Specdb::MsMs 682536 Specdb::MsMs 969556 Specdb::MsMs 969557 Specdb::MsMs 969558 Specdb::MsMs 2511993 Specdb::MsMs 2511994 Specdb::MsMs 2511995 Specdb::MsMs 2765591 Specdb::MsMs 2765592 Specdb::MsMs 2765593 Specdb::MsMs 2801308 Specdb::MsMs 2801309 Specdb::MsMs 2801310 Specdb::MsMs 2832549 Specdb::MsMs 2832550 Specdb::MsMs 2832551 Specdb::MsMs 2877740 Specdb::MsMs 2877741 Specdb::MsMs 2877742 131755218