1.0 2020-03-26 03:44:28 UTC 2020-04-22 19:36:46 UTC BMDB0102549 TG(16:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z)) 1-(9Z-Hexadecenoyl)-2-tetradecanoyl-3-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-glycerol 1-Palmitoleoyl-2-myristoyl-3-stearidonoyl-glycerol TAG(16:1/14:0/18:4) TAG(48:5) TG(16:1/14:0/18:4) TG(48:5) Tracylglycerol(16:1/14:0/18:4) Tracylglycerol(48:5) Triacylglycerol Triglyceride TG(16:1(9Z)/14:0/18:4(6Z,9Z,12Z,15Z)) C51H88O6 797.259 796.658090554 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)propyl (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,30,32,48H,4-6,8-9,11-15,17-18,21-22,26-29,31,33-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,32-30-/t48-/m0/s1 CXMSFJHIQFBNGB-AOBQKXFVSA-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 -7.97 ALOGPS logp 17.11 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(tetradecanoyloxy)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/CCCCCC)(COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C51H88O6 ChemAxon inchi InChI=1S/C51H88O6/c1-4-7-10-13-16-19-22-24-25-27-30-32-35-38-41-44-50(53)56-47-48(57-51(54)45-42-39-36-33-28-21-18-15-12-9-6-3)46-55-49(52)43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19-20,23-25,30,32,48H,4-6,8-9,11-15,17-18,21-22,26-29,31,33-47H2,1-3H3/b10-7-,19-16-,23-20-,25-24-,32-30-/t48-/m0/s1 ChemAxon inchikey CXMSFJHIQFBNGB-AOBQKXFVSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 246.87 ChemAxon polarizability 102.08 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 648412 Specdb::MsMs 648413 Specdb::MsMs 648414 Specdb::MsMs 956041 Specdb::MsMs 956042 Specdb::MsMs 956043 Specdb::MsMs 2392126 Specdb::MsMs 2392127 Specdb::MsMs 2392128 Specdb::MsMs 2750038 Specdb::MsMs 2750039 Specdb::MsMs 2750040 Specdb::MsMs 2795171 Specdb::MsMs 2795172 Specdb::MsMs 2795173 Specdb::MsMs 2886536 Specdb::MsMs 2886537 Specdb::MsMs 2886538 Specdb::MsMs 2921080 Specdb::MsMs 2921081 Specdb::MsMs 2921082 131759266