1.0 2020-03-25 17:52:23 UTC 2020-04-22 19:07:54 UTC BMDB0097984 TG(15:0/14:1(9Z)/24:1(15Z)) 1-Pentadecanoyl-2-(9Z-tetradecenoyl)-3-(15Z-tetracosanoyl)-glycerol 1-Pentadecanoyl-2-myristoleoyl-3-nervonoyl-glycerol TAG(15:0/14:1/24:1) TAG(53:2) TG(15:0/14:1/24:1) TG(53:2) Tracylglycerol(15:0/14:1/24:1) Tracylglycerol(53:2) Triacylglycerol Triglyceride TG(15:0/14:1(9Z)/24:1(15Z)) C56H104O6 873.442 872.783291069 (2S)-3-(pentadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate (2S)-3-(pentadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m0/s1 NXFLOBZPJVFYJC-KQZFFQOVSA-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 10.75 ALOGPS logs -8.06 ALOGPS logp 20.42 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(pentadecanoyloxy)-2-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 873.442 ChemAxon mono_mass 872.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C56H104O6 ChemAxon inchi InChI=1S/C56H104O6/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-30-31-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m0/s1 ChemAxon inchikey NXFLOBZPJVFYJC-KQZFFQOVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 266.53 ChemAxon polarizability 117.03 ChemAxon rotatable_bond_count 53 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 225791 Specdb::MsMs 577360 Specdb::MsMs 577361 Specdb::MsMs 577362 Specdb::MsMs 927439 Specdb::MsMs 927440 Specdb::MsMs 927441 Specdb::MsMs 2439877 Specdb::MsMs 2439878 Specdb::MsMs 2439879 Specdb::MsMs 2466557 Specdb::MsMs 2466558 Specdb::MsMs 2466559 Specdb::MsMs 2770037 Specdb::MsMs 2770038 Specdb::MsMs 2770039 Specdb::MsMs 2888002 Specdb::MsMs 2888003 Specdb::MsMs 2888004 Specdb::MsMs 2908227 Specdb::MsMs 2908228 Specdb::MsMs 2908229 131754303