1.0 2020-03-26 01:28:53 UTC 2020-04-22 19:28:54 UTC BMDB0101309 TG(24:0/22:0/14:1(9Z)) 1-Lignoceroyl-2-behenoyl-3-myristoleoyl-glycerol 1-Tetracosanoyl-2-docosanoyl-3-(9Z-tetradecenoyl)-glycerol TAG(24:0/22:0/14:1) TAG(60:1) TG(24:0/22:0/14:1) TG(60:1) Tracylglycerol(24:0/22:0/14:1) Tracylglycerol(60:1) Triacylglycerol Triglyceride TG(24:0/22:0/14:1(9Z)) C63H120O6 973.647 972.908491584 (2S)-2-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl tetracosanoate (2S)-2-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC InChI=1S/C63H120O6/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/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-/t60-/m1/s1 FWVLOXKUQLDETR-UMYTVORISA-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 10.71 ALOGPS logs -7.94 ALOGPS logp 23.9 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl tetracosanoate ChemAxon average_mass 973.647 ChemAxon mono_mass 972.908491584 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC ChemAxon formula C63H120O6 ChemAxon inchi InChI=1S/C63H120O6/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/h15,18,60H,4-14,16-17,19-59H2,1-3H3/b18-15-/t60-/m1/s1 ChemAxon inchikey FWVLOXKUQLDETR-UMYTVORISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 297.62 ChemAxon polarizability 133.87 ChemAxon rotatable_bond_count 61 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 596518 Specdb::MsMs 596519 Specdb::MsMs 596520 Specdb::MsMs 935152 Specdb::MsMs 935153 Specdb::MsMs 935154 Specdb::MsMs 2482948 Specdb::MsMs 2482949 Specdb::MsMs 2482950 Specdb::MsMs 2657077 Specdb::MsMs 2657078 Specdb::MsMs 2657079 Specdb::MsMs 2705051 Specdb::MsMs 2705052 Specdb::MsMs 2705053 Specdb::MsMs 3004428 Specdb::MsMs 3004429 Specdb::MsMs 3004430 Specdb::MsMs 3118525 Specdb::MsMs 3118526 Specdb::MsMs 3118527 131757970