1.0 2020-03-26 10:22:52 UTC 2020-04-22 20:07:32 UTC BMDB0107390 TG(20:3n6/16:0/18:3(9Z,12Z,15Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-hexadecanoyl-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol 1-Homo-g-linolenoyl-2-palmitoyl-3-a-linolenoyl-glycerol TAG(20:3/16:0/18:3) TAG(20:3n6/16:0/18:3) TAG(20:3W6/16:0/18:3) TAG(54:6) TG(20:3/16:0/18:3) TG(20:3n6/16:0/18:3) TG(20:3W6/16:0/18:3) TG(54:6) Tracylglycerol(20:3/16:0/18:3) Tracylglycerol(20:3n6/16:0/18:3) Tracylglycerol(20:3W6/16:0/18:3) Tracylglycerol(54:6) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-palmitoyl-3-alpha-linolenoyl-glycerol TG(20:3n6/16:0/18:3n3) TG(20:3W6/16:0/18:3W3) Tag(20:3(8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z)) Tag(20:3n6/16:0/18:3n3) Tag(20:3W6/16:0/18:3W3) Triacylglycerol(20:3(8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z)) Triacylglycerol(20:3/16:0/18:3) Triacylglycerol(20:3n6/16:0/18:3n3) Triacylglycerol(20:3W6/16:0/18:3W3) Triacylglycerol(54:6) TG(20:3(8Z,11Z,14Z)/16:0/18:3(9Z,12Z,15Z)) TG(20:3n6/16:0/18:3(9Z,12Z,15Z)) C57H98O6 879.405 878.736340876 (2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m1/s1 ZZGWXOAATGFMOH-RFVZABSJSA-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 10.68 ALOGPS logs -8.04 ALOGPS logp 19.42 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(hexadecanoyloxy)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 879.405 ChemAxon mono_mass 878.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCC ChemAxon formula C57H98O6 ChemAxon inchi InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,25-27,29-30,33,54H,4-7,9-10,12-15,18,21-24,28,31-32,34-53H2,1-3H3/b11-8-,19-16-,20-17-,27-25-,29-26-,33-30-/t54-/m1/s1 ChemAxon inchikey ZZGWXOAATGFMOH-RFVZABSJSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 275.6 ChemAxon polarizability 113.7 ChemAxon rotatable_bond_count 50 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 659236 Specdb::MsMs 659237 Specdb::MsMs 659238 Specdb::MsMs 960328 Specdb::MsMs 960329 Specdb::MsMs 960330 Specdb::MsMs 2379432 Specdb::MsMs 2379433 Specdb::MsMs 2379434 Specdb::MsMs 2451499 Specdb::MsMs 2451500 Specdb::MsMs 2451501 Specdb::MsMs 2556831 Specdb::MsMs 2556832 Specdb::MsMs 2556833 Specdb::MsMs 2649738 Specdb::MsMs 2649739 Specdb::MsMs 2649740 Specdb::MsMs 3102080 Specdb::MsMs 3102081 Specdb::MsMs 3102082 131764322