1.0 2020-03-25 21:03:38 UTC 2020-05-21 16:27:41 UTC BMDB0099084 TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0) 1-Hexadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-tetracosanoyl-glycerol 1-Palmitoyl-2-eicosapentaenoyl-3-lignoceroyl-glycerol TAG(16:0/20:5/24:0) TAG(60:5) TG(16:0/20:5/24:0) TG(60:5) Tracylglycerol(16:0/20:5/24:0) Tracylglycerol(60:5) Triacylglycerol Triglyceride TG(16:0/20:5(5Z,8Z,11Z,14Z,17Z)/24:0) C63H112O6 965.583 964.845891326 (2S)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl tetracosanoate (2S)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-26-,39-36-,48-45-/t60-/m0/s1 XNRMSBDDILQLRG-LSKMVMMXSA-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 10.95 ALOGPS logs -8.20 ALOGPS logp 22.45 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl tetracosanoate ChemAxon average_mass 965.583 ChemAxon mono_mass 964.845891326 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C63H112O6 ChemAxon inchi InChI=1S/C63H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-33-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,28,36,39,45,48,60H,4-7,9-10,12-16,18-19,21-25,27,29-35,37-38,40-44,46-47,49-59H2,1-3H3/b11-8-,20-17-,28-26-,39-36-,48-45-/t60-/m0/s1 ChemAxon inchikey XNRMSBDDILQLRG-LSKMVMMXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 302.09 ChemAxon polarizability 128.5 ChemAxon rotatable_bond_count 57 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 599011 Specdb::MsMs 599012 Specdb::MsMs 599013 Specdb::MsMs 936163 Specdb::MsMs 936164 Specdb::MsMs 936165 Specdb::MsMs 2308575 Specdb::MsMs 2308576 Specdb::MsMs 2308577 Specdb::MsMs 2718795 Specdb::MsMs 2718796 Specdb::MsMs 2718797 Specdb::MsMs 2823839 Specdb::MsMs 2823840 Specdb::MsMs 2823841 Specdb::MsMs 2963172 Specdb::MsMs 2963173 Specdb::MsMs 2963174 Specdb::MsMs 3059152 Specdb::MsMs 3059153 Specdb::MsMs 3059154 131755613 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme