1.0 2020-03-26 06:36:15 UTC 2020-05-21 16:28:00 UTC BMDB0104515 TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(11-Eicosenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Eicosenoyl-2-arachidonoyl-3-docosapentaenoyl-glycerol TAG(20:1/20:4/22:5) TAG(62:10) TG(20:1/20:4/22:5) TG(62:10) Tracylglycerol(20:1/20:4/22:5) Tracylglycerol(62:10) Triacylglycerol Triglyceride TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C65H106O6 983.557 982.798941133 (2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1 QVEFXXOTFDJCOX-HDBXDMOZSA-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 10.45 ALOGPS logs -8.33 ALOGPS logp 21.53 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 983.557 ChemAxon mono_mass 982.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C65H106O6 ChemAxon inchi InChI=1S/C65H106O6/c1-4-7-10-13-16-19-22-25-28-31-32-35-37-40-43-46-49-52-55-58-64(67)70-61-62(71-65(68)59-56-53-50-47-44-41-38-34-30-27-24-21-18-15-12-9-6-3)60-69-63(66)57-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25-30,32,35,38,40-41,43,47,50,62H,4-6,8-9,11-15,17,20,22-24,31,33-34,36-37,39,42,44-46,48-49,51-61H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,29-26-,30-27-,35-32-,41-38-,43-40-,50-47-/t62-/m0/s1 ChemAxon inchikey QVEFXXOTFDJCOX-HDBXDMOZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 316.87 ChemAxon polarizability 125.81 ChemAxon rotatable_bond_count 54 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 211459 Specdb::MsMs 659740 Specdb::MsMs 659741 Specdb::MsMs 659742 Specdb::MsMs 960541 Specdb::MsMs 960542 Specdb::MsMs 960543 Specdb::MsMs 2284948 Specdb::MsMs 2284949 Specdb::MsMs 2284950 Specdb::MsMs 2608482 Specdb::MsMs 2608483 Specdb::MsMs 2608484 Specdb::MsMs 2708516 Specdb::MsMs 2708517 Specdb::MsMs 2708518 Specdb::MsMs 3003148 Specdb::MsMs 3003149 Specdb::MsMs 3003150 Specdb::MsMs 3080544 Specdb::MsMs 3080545 Specdb::MsMs 3080546 131761415 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme