1.0 2020-03-07 06:13:23 UTC 2020-04-22 17:53:58 UTC BMDB0082537 BMDB82537 TG(a-15:0/12:0/17:0)[rac] 1-anteisopentadecanoyl-2-dodecanoyl-3-margaroyl-glycerol Tracylglycerol(44:0) Tracylglycerol(a-15:0/12:0/17:0) TAG(a-15:0/12:0/17:0) Triacylglycerol Triglyceride 1-anteisopentadecanoyl-2-dodecanoyl-3-heptadecanoyl-glycerol TG(a-15:0/12:0/17:0)[rac] TG(44:0) TAG(44:0) TG(a-15:0/12:0/17:0) C47H90O6 751.231 750.673740618 (2R)-2-(dodecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl heptadecanoate (2R)-2-(dodecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl heptadecanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC InChI=1S/C47H90O6/c1-5-8-10-12-14-16-17-18-19-20-22-26-30-34-38-45(48)51-41-44(53-47(50)40-36-32-28-21-15-13-11-9-6-2)42-52-46(49)39-35-31-27-24-23-25-29-33-37-43(4)7-3/h43-44H,5-42H2,1-4H3/t43?,44-/m1/s1 CXCNKLYLSDPDAO-JXDVSCHGSA-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 -7.78 ALOGPS logp 16.99 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-2-(dodecanoyloxy)-3-[(12-methyltetradecanoyl)oxy]propyl heptadecanoate ChemAxon average_mass 751.231 ChemAxon mono_mass 750.673740618 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCC ChemAxon formula C47H90O6 ChemAxon inchi InChI=1S/C47H90O6/c1-5-8-10-12-14-16-17-18-19-20-22-26-30-34-38-45(48)51-41-44(53-47(50)40-36-32-28-21-15-13-11-9-6-2)42-52-46(49)39-35-31-27-24-23-25-29-33-37-43(4)7-3/h43-44H,5-42H2,1-4H3/t43?,44-/m1/s1 ChemAxon inchikey CXCNKLYLSDPDAO-JXDVSCHGSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 222.83 ChemAxon polarizability 100.25 ChemAxon rotatable_bond_count 45 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 662002 Specdb::MsMs 662003 Specdb::MsMs 662004 Specdb::MsMs 2327265 Specdb::MsMs 2327266 Specdb::MsMs 2327267 Specdb::MsMs 2406797 Specdb::MsMs 2406798 Specdb::MsMs 2406799 Specdb::MsMs 2459020 Specdb::MsMs 2459021 Specdb::MsMs 2459022 Specdb::MsMs 2531865 Specdb::MsMs 2531866 Specdb::MsMs 2531867 Specdb::MsMs 2882078 Specdb::MsMs 2882079 Specdb::MsMs 2882080 FDB072934 74865109 131809310