1.0 2020-03-25 17:45:30 UTC 2020-05-21 16:27:31 UTC BMDB0097899 TG(15:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1-Pentadecanoyl-2-octadecanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Pentadecanoyl-2-stearoyl-3-docosapentaenoyl-glycerol TAG(15:0/18:0/22:5) TAG(55:5) TG(15:0/18:0/22:5) TG(55:5) Tracylglycerol(15:0/18:0/22:5) Tracylglycerol(55:5) Triacylglycerol Triglyceride TG(15:0/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) C58H102O6 895.448 894.767641004 (2S)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,36-33-/t55-/m0/s1 YHMZACYPHKFNOI-MNASFJNBSA-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 10.85 ALOGPS logs -8.16 ALOGPS logp 20.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(octadecanoyloxy)-3-(pentadecanoyloxy)propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 895.448 ChemAxon mono_mass 894.767641004 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C58H102O6 ChemAxon inchi InChI=1S/C58H102O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-33-36-39-42-45-48-51-57(60)63-54-55(53-62-56(59)50-47-44-41-38-35-24-21-18-15-12-9-6-3)64-58(61)52-49-46-43-40-37-34-31-26-23-20-17-14-11-8-5-2/h7,10,16,19,25,27,29-30,33,36,55H,4-6,8-9,11-15,17-18,20-24,26,28,31-32,34-35,37-54H2,1-3H3/b10-7-,19-16-,27-25-,30-29-,36-33-/t55-/m0/s1 ChemAxon inchikey YHMZACYPHKFNOI-MNASFJNBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 279.08 ChemAxon polarizability 117.34 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::MsMs 637690 Specdb::MsMs 637691 Specdb::MsMs 637692 Specdb::MsMs 951817 Specdb::MsMs 951818 Specdb::MsMs 951819 Specdb::MsMs 2332376 Specdb::MsMs 2332377 Specdb::MsMs 2332378 Specdb::MsMs 2819685 Specdb::MsMs 2819686 Specdb::MsMs 2819687 Specdb::MsMs 2889217 Specdb::MsMs 2889218 Specdb::MsMs 2889219 Specdb::MsMs 2970768 Specdb::MsMs 2970769 Specdb::MsMs 2970770 Specdb::MsMs 2994053 Specdb::MsMs 2994054 Specdb::MsMs 2994055 131754202 BMDBP02834 Diacylglycerol O-acyltransferase 1 Q8MK44 DGAT1 Enzyme