1.0 2020-03-26 03:32:54 UTC 2020-04-22 19:35:51 UTC BMDB0102404 TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) 1-(9Z-Tetradecenoyl)-2-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-3-(11Z-octadecenoyl)-glycerol 1-Myristoleoyl-2-stearidonoyl-3-vaccenoyl-glycerol TAG(14:1/18:4/18:1) TAG(50:6) TG(14:1/18:4/18:1) TG(50:6) Tracylglycerol(14:1/18:4/18:1) Tracylglycerol(50:6) Triacylglycerol Triglyceride TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) C53H90O6 823.297 822.673740618 (2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\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/h8,11,15,17-20,22,25,27,32,35,50H,4-7,9-10,12-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,35-32-/t50-/m0/s1 QJWVWMNQQBKBFF-CSTAZJTGSA-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 10.46 ALOGPS logs -8.09 ALOGPS logp 17.64 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(11Z)-octadec-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 823.297 ChemAxon mono_mass 822.673740618 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCC\C=C/C\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/h8,11,15,17-20,22,25,27,32,35,50H,4-7,9-10,12-14,16,21,23-24,26,28-31,33-34,36-49H2,1-3H3/b11-8-,18-15-,20-17-,22-19-,27-25-,35-32-/t50-/m0/s1 ChemAxon inchikey QJWVWMNQQBKBFF-CSTAZJTGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 257.19 ChemAxon polarizability 105.79 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 222315 Specdb::MsMs 584506 Specdb::MsMs 584507 Specdb::MsMs 584508 Specdb::MsMs 930232 Specdb::MsMs 930233 Specdb::MsMs 930234 Specdb::MsMs 2295492 Specdb::MsMs 2295493 Specdb::MsMs 2295494 Specdb::MsMs 2492216 Specdb::MsMs 2492217 Specdb::MsMs 2492218 Specdb::MsMs 2577522 Specdb::MsMs 2577523 Specdb::MsMs 2577524 Specdb::MsMs 2642808 Specdb::MsMs 2642809 Specdb::MsMs 2642810 Specdb::MsMs 2790569 Specdb::MsMs 2790570 Specdb::MsMs 2790571 131759119