1.0 2020-03-25 17:44:38 UTC 2020-04-22 19:07:18 UTC BMDB0097888 TG(15:0/18:0/16:1(9Z)) 1-Pentadecanoyl-2-octadecanoyl-3-(9Z-hexadecenoyl)-glycerol 1-Pentadecanoyl-2-stearoyl-3-palmitoleoyl-glycerol TAG(15:0/18:0/16:1) TAG(49:1) TG(15:0/18:0/16:1) TG(49:1) Tracylglycerol(15:0/18:0/16:1) Tracylglycerol(49:1) Triacylglycerol Triglyceride TG(15:0/18:0/16:1(9Z)) C52H98O6 819.35 818.736340876 (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl octadecanoate (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl octadecanoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m0/s1 AZCVOMGAXUJFJI-ZCXHGMKPSA-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 10.65 ALOGPS logs -7.87 ALOGPS logp 19.01 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-(pentadecanoyloxy)propan-2-yl octadecanoate ChemAxon average_mass 819.35 ChemAxon mono_mass 818.736340876 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C52H98O6 ChemAxon inchi InChI=1S/C52H98O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h20,23,49H,4-19,21-22,24-48H2,1-3H3/b23-20-/t49-/m0/s1 ChemAxon inchikey AZCVOMGAXUJFJI-ZCXHGMKPSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 247.01 ChemAxon polarizability 109.51 ChemAxon rotatable_bond_count 50 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 213371 Specdb::MsMs 563056 Specdb::MsMs 563057 Specdb::MsMs 563058 Specdb::MsMs 921652 Specdb::MsMs 921653 Specdb::MsMs 921654 Specdb::MsMs 2273244 Specdb::MsMs 2273245 Specdb::MsMs 2273246 Specdb::MsMs 2303499 Specdb::MsMs 2303500 Specdb::MsMs 2303501 Specdb::MsMs 2437774 Specdb::MsMs 2437775 Specdb::MsMs 2437776 Specdb::MsMs 3016983 Specdb::MsMs 3016984 Specdb::MsMs 3016985 Specdb::MsMs 3065627 Specdb::MsMs 3065628 Specdb::MsMs 3065629 131754185