1.0 2020-03-26 02:57:38 UTC 2020-04-22 19:33:06 UTC BMDB0101970 TG(14:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z)) 1-(9Z-Tetradecenoyl)-2-octadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Myristoleoyl-2-stearoyl-3-stearidonoyl-glycerol TAG(14:1/18:0/18:4) TAG(50:5) TG(14:1/18:0/18:4) TG(50:5) Tracylglycerol(14:1/18:0/18:4) Tracylglycerol(50:5) Triacylglycerol Triglyceride TG(14:1(9Z)/18:0/18:4(6Z,9Z,12Z,15Z)) C53H92O6 825.313 824.689390682 (2S)-2-(octadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-2-(octadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C53H92O6/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/h7,10,15-16,18-19,24,26,31,34,50H,4-6,8-9,11-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,34-31-/t50-/m0/s1 BOWKMRQGYPXYIY-HNKLWCGLSA-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 10.62 ALOGPS logs -7.99 ALOGPS logp 18 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(octadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 825.313 ChemAxon mono_mass 824.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C53H92O6 ChemAxon inchi InChI=1S/C53H92O6/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/h7,10,15-16,18-19,24,26,31,34,50H,4-6,8-9,11-14,17,20-23,25,27-30,32-33,35-49H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,34-31-/t50-/m0/s1 ChemAxon inchikey BOWKMRQGYPXYIY-HNKLWCGLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 256.08 ChemAxon polarizability 106.72 ChemAxon rotatable_bond_count 47 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 621685 Specdb::MsMs 621686 Specdb::MsMs 621687 Specdb::MsMs 945295 Specdb::MsMs 945296 Specdb::MsMs 945297 Specdb::MsMs 2508787 Specdb::MsMs 2508788 Specdb::MsMs 2508789 Specdb::MsMs 2626160 Specdb::MsMs 2626161 Specdb::MsMs 2626162 Specdb::MsMs 2822825 Specdb::MsMs 2822826 Specdb::MsMs 2822827 Specdb::MsMs 3054188 Specdb::MsMs 3054189 Specdb::MsMs 3054190 Specdb::MsMs 3115671 Specdb::MsMs 3115672 Specdb::MsMs 3115673 131758652