1.0 2020-03-25 21:15:14 UTC 2020-04-22 19:15:43 UTC BMDB0099221 TG(18:0/15:0/22:1(13Z)) 1-Octadecanoyl-2-pentadecanoyl-3-(13Z-docosenoyl)-glycerol 1-Stearoyl-2-pentadecanoyl-3-erucoyl-glycerol TAG(18:0/15:0/22:1) TAG(55:1) TG(18:0/15:0/22:1) TG(55:1) Tracylglycerol(18:0/15:0/22:1) Tracylglycerol(55:1) Triacylglycerol Triglyceride TG(18:0/15:0/22:1(13Z)) C58H110O6 903.512 902.830241262 (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1 QQRWPNSSEOUILI-AFHCKBSLSA-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 10.71 ALOGPS logs -7.91 ALOGPS logp 21.67 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(octadecanoyloxy)-2-(pentadecanoyloxy)propyl (13Z)-docos-13-enoate ChemAxon average_mass 903.512 ChemAxon mono_mass 902.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C58H110O6 ChemAxon inchi InChI=1S/C58H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-32-34-37-39-42-45-48-51-57(60)63-54-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-26-23-20-17-14-11-8-5-2/h25,27,55H,4-24,26,28-54H2,1-3H3/b27-25-/t55-/m0/s1 ChemAxon inchikey QQRWPNSSEOUILI-AFHCKBSLSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 274.61 ChemAxon polarizability 122.53 ChemAxon rotatable_bond_count 56 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 227568 Specdb::MsMs 685768 Specdb::MsMs 685769 Specdb::MsMs 685770 Specdb::MsMs 970852 Specdb::MsMs 970853 Specdb::MsMs 970854 Specdb::MsMs 2758695 Specdb::MsMs 2758696 Specdb::MsMs 2758697 Specdb::MsMs 2923351 Specdb::MsMs 2923352 Specdb::MsMs 2923353 Specdb::MsMs 2950887 Specdb::MsMs 2950888 Specdb::MsMs 2950889 Specdb::MsMs 3063253 Specdb::MsMs 3063254 Specdb::MsMs 3063255 Specdb::MsMs 3119743 Specdb::MsMs 3119744 Specdb::MsMs 3119745 131755749