1.0 2020-03-26 08:58:46 UTC 2020-04-22 20:00:27 UTC BMDB0106271 TG(18:2(9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 1-(9Z,12Z-Octadecadienoyl)-2-(9Z-tetradecenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Linoleoyl-2-myristoleoyl-3-adrenoyl-glycerol TAG(18:2/14:1/22:4) TAG(54:7) TG(18:2/14:1/22:4) TG(54:7) Tracylglycerol(18:2/14:1/22:4) Tracylglycerol(54:7) Triacylglycerol Triglyceride TG(18:2(9Z,12Z)/14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) C57H96O6 877.389 876.720690811 (2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,36,54H,4-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1 CECAFCDLLVHDMP-DUNKDLFUSA-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 Organic oxides Tricarboxylic acids and derivatives Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Triacyl-sn-glycerol Tricarboxylic acid or derivatives Aliphatic acyclic compounds logp 10.51 ALOGPS logs -8.21 ALOGPS logp 19.06 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 877.389 ChemAxon mono_mass 876.720690811 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C57H96O6 ChemAxon inchi InChI=1S/C57H96O6/c1-4-7-10-13-16-19-22-24-26-27-28-29-31-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-35-32-30-25-23-20-17-14-11-8-5-2/h15-20,24-26,28-30,33,36,54H,4-14,21-23,27,31-32,34-35,37-53H2,1-3H3/b18-15-,19-16-,20-17-,26-24-,29-28-,30-25-,36-33-/t54-/m0/s1 ChemAxon inchikey CECAFCDLLVHDMP-DUNKDLFUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 276.71 ChemAxon polarizability 113.04 ChemAxon rotatable_bond_count 49 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 239294 Specdb::MsMs 634933 Specdb::MsMs 634934 Specdb::MsMs 634935 Specdb::MsMs 950698 Specdb::MsMs 950699 Specdb::MsMs 950700 Specdb::MsMs 2372526 Specdb::MsMs 2372527 Specdb::MsMs 2372528 Specdb::MsMs 2540399 Specdb::MsMs 2540400 Specdb::MsMs 2540401 Specdb::MsMs 2726537 Specdb::MsMs 2726538 Specdb::MsMs 2726539 Specdb::MsMs 2901060 Specdb::MsMs 2901061 Specdb::MsMs 2901062 Specdb::MsMs 2979344 Specdb::MsMs 2979345 Specdb::MsMs 2979346 131763185