1.0 2020-03-26 02:58:39 UTC 2020-04-22 19:33:11 UTC BMDB0101983 TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z)) 1-(9Z-Tetradecenoyl)-2-eicosanoyl-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol 1-Myristoleoyl-2-arachidonyl-3-g-linolenoyl-glycerol TAG(14:1/20:0/18:3) TAG(52:4) TG(14:1/20:0/18:3) TG(52:4) Tracylglycerol(14:1/20:0/18:3) Tracylglycerol(52:4) Triacylglycerol Triglyceride TG(14:1(9Z)/20:0/18:3(6Z,9Z,12Z)) C55H98O6 855.383 854.736340876 (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl icosanoate (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl icosanoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,33,36,52H,4-14,16,19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b18-15-,20-17-,28-25-,36-33-/t52-/m0/s1 DEPGGFQZPXHZIM-VAQDBORHSA-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 -8.11 ALOGPS logp 19.25 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl icosanoate ChemAxon average_mass 855.383 ChemAxon mono_mass 854.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C55H98O6 ChemAxon inchi InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,17-18,20,25,28,33,36,52H,4-14,16,19,21-24,26-27,29-32,34-35,37-51H2,1-3H3/b18-15-,20-17-,28-25-,36-33-/t52-/m0/s1 ChemAxon inchikey DEPGGFQZPXHZIM-VAQDBORHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 264.16 ChemAxon polarizability 112.11 ChemAxon rotatable_bond_count 50 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 610357 Specdb::MsMs 610358 Specdb::MsMs 610359 Specdb::MsMs 940717 Specdb::MsMs 940718 Specdb::MsMs 940719 Specdb::MsMs 2488239 Specdb::MsMs 2488240 Specdb::MsMs 2488241 Specdb::MsMs 2801785 Specdb::MsMs 2801786 Specdb::MsMs 2801787 Specdb::MsMs 2812667 Specdb::MsMs 2812668 Specdb::MsMs 2812669 Specdb::MsMs 2827899 Specdb::MsMs 2827900 Specdb::MsMs 2827901 Specdb::MsMs 2895643 Specdb::MsMs 2895644 Specdb::MsMs 2895645 131758667