1.0 2020-03-26 02:54:47 UTC 2020-04-22 19:32:52 UTC BMDB0101934 TG(14:1(9Z)/15:0/24:1(15Z)) 1-(9Z-Tetradecenoyl)-2-pentadecanoyl-3-(15Z-tetracosanoyl)-glycerol 1-Myristoleoyl-2-pentadecanoyl-3-nervonoyl-glycerol TAG(14:1/15:0/24:1) TAG(53:2) TG(14:1/15:0/24:1) TG(53:2) Tracylglycerol(14:1/15:0/24:1) Tracylglycerol(53:2) Triacylglycerol Triglyceride TG(14:1(9Z)/15:0/24:1(15Z)) C56H104O6 873.442 872.783291069 (2R)-2-(pentadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (15Z)-tetracos-15-enoate (2R)-2-(pentadecanoyloxy)-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)CCCCCCCCCCCCCC 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(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m0/s1 SEMZZORJUSOBBB-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 (2R)-2-(pentadecanoyloxy)-3-[(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)CCCCCCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCCCCC 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(51-60-54(57)48-45-42-39-36-33-21-18-15-12-9-6-3)62-56(59)50-47-44-41-38-34-23-20-17-14-11-8-5-2/h15,18,24-25,53H,4-14,16-17,19-23,26-52H2,1-3H3/b18-15-,25-24-/t53-/m0/s1 ChemAxon inchikey SEMZZORJUSOBBB-KQZFFQOVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 266.53 ChemAxon polarizability 116.95 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::MsMs 684877 Specdb::MsMs 684878 Specdb::MsMs 684879 Specdb::MsMs 970510 Specdb::MsMs 970511 Specdb::MsMs 970512 Specdb::MsMs 2278088 Specdb::MsMs 2278089 Specdb::MsMs 2278090 Specdb::MsMs 2599284 Specdb::MsMs 2599285 Specdb::MsMs 2599286 Specdb::MsMs 2704931 Specdb::MsMs 2704932 Specdb::MsMs 2704933 Specdb::MsMs 2811608 Specdb::MsMs 2811609 Specdb::MsMs 2811610 Specdb::MsMs 3087289 Specdb::MsMs 3087290 Specdb::MsMs 3087291 131758596