1.0 2020-03-25 17:19:46 UTC 2020-04-22 19:05:22 UTC BMDB0097583 TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 1-Myristoyl-2-adrenoyl-3-adrenoyl-glycerol 1-Tetradecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol TAG(14:0/22:4/22:4) TAG(58:8) TG(14:0/22:4/22:4) TG(58:8) Tracylglycerol(14:0/22:4/22:4) Tracylglycerol(58:8) Triacylglycerol Triglyceride TG(14:0/22:4(7Z,10Z,13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) C61H102O6 931.481 930.767641004 (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,58H,4-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1 HVWFFXGDPAVCBM-NTAWWKGUSA-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 10.62 ALOGPS logs -8.25 ALOGPS logp 20.47 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(tetradecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 931.481 ChemAxon mono_mass 930.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C61H102O6 ChemAxon inchi InChI=1S/C61H102O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-34-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-35-33-31-29-27-25-23-20-17-14-11-8-5-2/h16-17,19-20,24-27,30-33,36-37,39-40,58H,4-15,18,21-23,28-29,34-35,38,41-57H2,1-3H3/b19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,39-36-,40-37-/t58-/m0/s1 ChemAxon inchikey HVWFFXGDPAVCBM-NTAWWKGUSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.23 ChemAxon polarizability 119.72 ChemAxon rotatable_bond_count 52 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 226777 Specdb::MsMs 569623 Specdb::MsMs 569624 Specdb::MsMs 569625 Specdb::MsMs 2587471 Specdb::MsMs 2587472 Specdb::MsMs 2587473 Specdb::MsMs 2656201 Specdb::MsMs 2656202 Specdb::MsMs 2656203 Specdb::MsMs 2811926 Specdb::MsMs 2811927 Specdb::MsMs 2811928 Specdb::MsMs 2896698 Specdb::MsMs 2896699 Specdb::MsMs 2896700 Specdb::MsMs 3109116 Specdb::MsMs 3109117 Specdb::MsMs 3109118 131753849