1.0 2020-03-07 11:42:06 UTC 2020-04-22 18:25:27 UTC BMDB0087517 BMDB87517 TG(a-17:0/a-15:0/17:0)[rac] 1-anteisoheptadecanoyl-2-anteisopentadecanoyl-3-margaroyl-glycerol Triacylglycerol TG(a-17:0/a-15:0/17:0) TG(a-17:0/a-15:0/17:0)[rac] Triglyceride Tracylglycerol(49:0) TAG(49:0) TG(49:0) 1-anteisoheptadecanoyl-2-anteisopentadecanoyl-3-heptadecanoyl-glycerol TAG(a-17:0/a-15:0/17:0) Tracylglycerol(a-17:0/a-15:0/17:0) (2R)-3-[(14-Methylhexadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl heptadecanoic acid C52H100O6 821.366 820.75199094 (2R)-3-[(14-methylhexadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl heptadecanoate (2R)-3-[(14-methylhexadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl heptadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC InChI=1S/C52H100O6/c1-6-9-10-11-12-13-14-15-16-17-21-27-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-24-23-26-31-36-41-48(5)8-3)46-57-51(54)43-38-33-28-22-19-18-20-25-30-35-40-47(4)7-2/h47-49H,6-46H2,1-5H3/t47?,48?,49-/m1/s1 GPGDEARKSCSOFX-WNGNZBQBSA-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 10.51 ALOGPS logs -7.89 ALOGPS logp 19.05 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(14-methylhexadecanoyl)oxy]-2-[(12-methyltetradecanoyl)oxy]propyl heptadecanoate ChemAxon average_mass 821.366 ChemAxon mono_mass 820.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC(C)CC ChemAxon formula C52H100O6 ChemAxon inchi InChI=1S/C52H100O6/c1-6-9-10-11-12-13-14-15-16-17-21-27-32-37-42-50(53)56-45-49(58-52(55)44-39-34-29-24-23-26-31-36-41-48(5)8-3)46-57-51(54)43-38-33-28-22-19-18-20-25-30-35-40-47(4)7-2/h47-49H,6-46H2,1-5H3/t47?,48?,49-/m1/s1 ChemAxon inchikey GPGDEARKSCSOFX-WNGNZBQBSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 245.79 ChemAxon polarizability 110.59 ChemAxon rotatable_bond_count 49 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 216465 Specdb::MsMs 617593 Specdb::MsMs 617594 Specdb::MsMs 617595 Specdb::MsMs 2340339 Specdb::MsMs 2340340 Specdb::MsMs 2340341 Specdb::MsMs 2366638 Specdb::MsMs 2366639 Specdb::MsMs 2366640 Specdb::MsMs 2443996 Specdb::MsMs 2443997 Specdb::MsMs 2443998 Specdb::MsMs 2625203 Specdb::MsMs 2625204 Specdb::MsMs 2625205 Specdb::MsMs 2873330 Specdb::MsMs 2873331 Specdb::MsMs 2873332 FDB077957 74870052 131814253