1.0 2020-03-25 17:23:58 UTC 2020-04-22 19:05:41 UTC BMDB0097633 TG(14:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) 1-Myristoyl-2-a-linolenoyl-3-g-linolenoyl-glycerol 1-Tetradecanoyl-2-(9Z,12Z,15Z-octadeatrienoyl)-3-(6Z,9Z,12Z-octadecatrienoyl)-glycerol TAG(14:0/18:3/18:3) TAG(50:6) TG(14:0/18:3/18:3) TG(50:6) Tracylglycerol(14:0/18:3/18:3) Tracylglycerol(50:6) Triacylglycerol Triglyceride TG(14:0/18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C53H90O6 823.297 822.673740618 (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,34,50H,4-7,9-10,12-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1 LTUUEGBLIHHDLS-RYKJEZTPSA-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 Lineolic acids and 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 Octadecanoid Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.47 ALOGPS logs -8.09 ALOGPS logp 17.64 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-(tetradecanoyloxy)propan-2-yl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate ChemAxon average_mass 823.297 ChemAxon mono_mass 822.673740618 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC ChemAxon formula C53H90O6 ChemAxon inchi InChI=1S/C53H90O6/c1-4-7-10-13-16-19-22-24-26-28-31-34-37-40-43-46-52(55)58-49-50(48-57-51(54)45-42-39-36-33-30-21-18-15-12-9-6-3)59-53(56)47-44-41-38-35-32-29-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,31,34,50H,4-7,9-10,12-15,18,21-23,28-30,32-33,35-49H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,34-31-/t50-/m0/s1 ChemAxon inchikey LTUUEGBLIHHDLS-RYKJEZTPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 257.19 ChemAxon polarizability 105.81 ChemAxon rotatable_bond_count 46 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 226582 Specdb::MsMs 570190 Specdb::MsMs 570191 Specdb::MsMs 570192 Specdb::MsMs 924526 Specdb::MsMs 924527 Specdb::MsMs 924528 Specdb::MsMs 2294352 Specdb::MsMs 2294353 Specdb::MsMs 2294354 Specdb::MsMs 2478092 Specdb::MsMs 2478093 Specdb::MsMs 2478094 Specdb::MsMs 2641411 Specdb::MsMs 2641412 Specdb::MsMs 2641413 Specdb::MsMs 2798642 Specdb::MsMs 2798643 Specdb::MsMs 2798644 Specdb::MsMs 2834733 Specdb::MsMs 2834734 Specdb::MsMs 2834735 131753904