1.0 2020-03-25 21:28:03 UTC 2020-05-21 16:27:45 UTC BMDB0099396 TG(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-Octadecanoyl-2-(11Z-octadecenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Stearoyl-2-vaccenoyl-3-docosapentaenoyl-glycerol TAG(18:0/18:1/22:5) TAG(58:6) TG(18:0/18:1/22:5) TG(58:6) Tracylglycerol(18:0/18:1/22:5) Tracylglycerol(58:6) Triacylglycerol Triglyceride TG(18:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C61H106O6 935.513 934.798941133 (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(octadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(octadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,39-36-/t58-/m0/s1 KSVKMWRSSYNZCW-FRQSMODASA-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 -8.10 ALOGPS logp 21.2 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(11Z)-octadec-11-enoyloxy]-3-(octadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 935.513 ChemAxon mono_mass 934.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCC\C=C/CCCCCC ChemAxon formula C61H106O6 ChemAxon inchi InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,30-31,36,39,58H,4-6,8-9,11-15,17-18,20,22-23,26-27,29,32-35,37-38,40-57H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,31-30-,39-36-/t58-/m0/s1 ChemAxon inchikey KSVKMWRSSYNZCW-FRQSMODASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 294 ChemAxon polarizability 121.96 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::MsMs 659146 Specdb::MsMs 659147 Specdb::MsMs 659148 Specdb::MsMs 960286 Specdb::MsMs 960287 Specdb::MsMs 960288 Specdb::MsMs 2337040 Specdb::MsMs 2337041 Specdb::MsMs 2337042 Specdb::MsMs 2460589 Specdb::MsMs 2460590 Specdb::MsMs 2460591 Specdb::MsMs 2628629 Specdb::MsMs 2628630 Specdb::MsMs 2628631 Specdb::MsMs 2856447 Specdb::MsMs 2856448 Specdb::MsMs 2856449 Specdb::MsMs 2883680 Specdb::MsMs 2883681 Specdb::MsMs 2883682 131755954 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme