1.0 2020-03-26 02:56:36 UTC 2020-04-22 19:33:01 UTC BMDB0101956 TG(14:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z)) 1-(9Z-Tetradecenoyl)-2-hexadecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Myristoleoyl-2-palmitoyl-3-stearidonoyl-glycerol TAG(14:1/16:0/18:4) TAG(48:5) TG(14:1/16:0/18:4) TG(48:5) Tracylglycerol(14:1/16:0/18:4) Tracylglycerol(48:5) Triacylglycerol Triglyceride TG(14:1(9Z)/16:0/18:4(6Z,9Z,12Z,15Z)) C51H88O6 797.259 796.658090554 (2S)-2-(hexadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-2-(hexadecanoyloxy)-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)CCCCCCCCCCCCCCC InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,32,48H,4-6,8-9,11-14,17,20-23,26-28,30-31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,32-29-/t48-/m0/s1 BDRDOLCPZFPOPT-ZPXYAIKLSA-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 10.50 ALOGPS logs -7.94 ALOGPS logp 17.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(hexadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate ChemAxon average_mass 797.259 ChemAxon mono_mass 796.658090554 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)CCCCCCCCCCCCCCC ChemAxon formula C51H88O6 ChemAxon inchi InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-29-32-35-38-41-44-50(53)56-47-48(46-55-49(52)43-40-37-34-31-28-21-18-15-12-9-6-3)57-51(54)45-42-39-36-33-30-26-23-20-17-14-11-8-5-2/h7,10,15-16,18-19,24-25,29,32,48H,4-6,8-9,11-14,17,20-23,26-28,30-31,33-47H2,1-3H3/b10-7-,18-15-,19-16-,25-24-,32-29-/t48-/m0/s1 ChemAxon inchikey BDRDOLCPZFPOPT-ZPXYAIKLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 246.87 ChemAxon polarizability 102.31 ChemAxon rotatable_bond_count 45 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 627883 Specdb::MsMs 627884 Specdb::MsMs 627885 Specdb::MsMs 947809 Specdb::MsMs 947810 Specdb::MsMs 947811 Specdb::MsMs 2305530 Specdb::MsMs 2305531 Specdb::MsMs 2305532 Specdb::MsMs 2458058 Specdb::MsMs 2458059 Specdb::MsMs 2458060 Specdb::MsMs 2584631 Specdb::MsMs 2584632 Specdb::MsMs 2584633 Specdb::MsMs 2692013 Specdb::MsMs 2692014 Specdb::MsMs 2692015 Specdb::MsMs 3062812 Specdb::MsMs 3062813 Specdb::MsMs 3062814 131758629