1.0 2020-03-07 08:57:04 UTC 2020-04-22 18:09:52 UTC BMDB0085042 BMDB85042 TG(16:0/12:0/i-17:0) 1-hexadecanoyl-2-dodecanoyl-3-isoheptadecanoyl-glycerol Tracylglycerol(45:0) TG(45:0) Triacylglycerol TG(16:0/12:0/i-17:0) 1-palmitoyl-2-dodecanoyl-3-isoheptadecanoyl-glycerol Triglyceride TAG(45:0) TAG(16:0/12:0/i-17:0) Tracylglycerol(16:0/12:0/i-17:0) C48H92O6 765.258 764.689390682 (2S)-2-(dodecanoyloxy)-3-(hexadecanoyloxy)propyl 15-methylhexadecanoate (2S)-2-(dodecanoyloxy)-3-(hexadecanoyloxy)propyl 15-methylhexadecanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC InChI=1S/C48H92O6/c1-5-7-9-11-13-15-16-17-20-24-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-22-14-12-10-8-6-2)43-53-47(50)40-36-32-28-25-21-18-19-23-26-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1 DRWVFTBTSCJDIY-GWHBCOKCSA-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 10.33 ALOGPS logs -7.80 ALOGPS logp 17.43 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(dodecanoyloxy)-3-(hexadecanoyloxy)propyl 15-methylhexadecanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-5-7-9-11-13-15-16-17-20-24-27-31-35-39-46(49)52-42-45(54-48(51)41-37-33-29-22-14-12-10-8-6-2)43-53-47(50)40-36-32-28-25-21-18-19-23-26-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1 ChemAxon inchikey DRWVFTBTSCJDIY-GWHBCOKCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.43 ChemAxon polarizability 102.54 ChemAxon rotatable_bond_count 46 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 676360 Specdb::MsMs 676361 Specdb::MsMs 676362 Specdb::MsMs 2411524 Specdb::MsMs 2411525 Specdb::MsMs 2411526 Specdb::MsMs 2549062 Specdb::MsMs 2549063 Specdb::MsMs 2549064 Specdb::MsMs 2781421 Specdb::MsMs 2781422 Specdb::MsMs 2781423 Specdb::MsMs 2924911 Specdb::MsMs 2924912 Specdb::MsMs 2924913 Specdb::MsMs 2942278 Specdb::MsMs 2942279 Specdb::MsMs 2942280 FDB075482 74867594 131811804