1.0 2020-03-26 01:13:03 UTC 2020-05-21 16:28:06 UTC BMDB0101120 TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0) 1-Behenoyl-2-docosapentaenoyl-3-lignoceroyl-glycerol 1-Docosanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-tetracosanoyl-glycerol TAG(22:0/22:5/24:0) TAG(68:5) TG(22:0/22:5/24:0) TG(68:5) Tracylglycerol(22:0/22:5/24:0) Tracylglycerol(68:5) Triacylglycerol Triglyceride TG(22:0/22:5(7Z,10Z,13Z,16Z,19Z)/24:0) C71H128O6 1077.799 1076.971091842 (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(docosanoyloxy)propyl tetracosanoate (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(docosanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,30-27-,41-37-,50-47-/t68-/m0/s1 VQPSUABUGJRFBX-LEOWMHJRSA-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 10.83 ALOGPS logs -8.27 ALOGPS logp 26.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(docosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1077.799 ChemAxon mono_mass 1076.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C71H128O6 ChemAxon inchi InChI=1S/C71H128O6/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-40-43-46-49-52-55-58-61-64-70(73)76-67-68(77-71(74)65-62-59-56-53-50-47-44-41-37-33-30-27-24-21-18-15-12-9-6-3)66-75-69(72)63-60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,27,30,37,41,47,50,68H,4-8,10-11,13-17,19-20,22-26,28-29,31-36,38-40,42-46,48-49,51-67H2,1-3H3/b12-9-,21-18-,30-27-,41-37-,50-47-/t68-/m0/s1 ChemAxon inchikey VQPSUABUGJRFBX-LEOWMHJRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 338.89 ChemAxon polarizability 144.97 ChemAxon rotatable_bond_count 65 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 234812 Specdb::MsMs 632548 Specdb::MsMs 632549 Specdb::MsMs 632550 Specdb::MsMs 949759 Specdb::MsMs 949760 Specdb::MsMs 949761 Specdb::MsMs 2293278 Specdb::MsMs 2293279 Specdb::MsMs 2293280 Specdb::MsMs 2518581 Specdb::MsMs 2518582 Specdb::MsMs 2518583 Specdb::MsMs 2815720 Specdb::MsMs 2815721 Specdb::MsMs 2815722 Specdb::MsMs 2838795 Specdb::MsMs 2838796 Specdb::MsMs 2838797 Specdb::MsMs 2893871 Specdb::MsMs 2893872 Specdb::MsMs 2893873 131757776 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme