1.0 2020-03-07 04:58:10 UTC 2020-04-22 17:46:48 UTC BMDB0081398 BMDB81398 TG(14:0/17:0/13:0) 1-tetradecanoyl-2-margaroyl-3-animal fats-glycerol Triacylglycerol Tracylglycerol(14:0/17:0/13:0) TG(14:0/17:0/13:0) Triglyceride 1-myristoyl-2-heptadecanoyl-3-tridecyloyl-glycerol TG(44:0) TAG(44:0) Tracylglycerol(44:0) TAG(14:0/17:0/13:0) C47H90O6 751.231 750.673740618 (2R)-1-(tetradecanoyloxy)-3-(tridecanoyloxy)propan-2-yl heptadecanoate (2R)-1-(tetradecanoyloxy)-3-(tridecanoyloxy)propan-2-yl heptadecanoate [H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-24-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-25-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m1/s1 NDVSGXDOSMRMCL-USYZEHPZSA-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 10.44 ALOGPS logs -7.77 ALOGPS logp 17.15 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-(tetradecanoyloxy)-3-(tridecanoyloxy)propan-2-yl heptadecanoate ChemAxon average_mass 751.231 ChemAxon mono_mass 750.673740618 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC ChemAxon formula C47H90O6 ChemAxon inchi InChI=1S/C47H90O6/c1-4-7-10-13-16-19-22-23-24-26-29-32-35-38-41-47(50)53-44(42-51-45(48)39-36-33-30-27-21-18-15-12-9-6-3)43-52-46(49)40-37-34-31-28-25-20-17-14-11-8-5-2/h44H,4-43H2,1-3H3/t44-/m1/s1 ChemAxon inchikey NDVSGXDOSMRMCL-USYZEHPZSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 222.89 ChemAxon polarizability 100.64 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::CMs 216823 Specdb::MsMs 563293 Specdb::MsMs 563294 Specdb::MsMs 563295 Specdb::MsMs 2346794 Specdb::MsMs 2346795 Specdb::MsMs 2346796 Specdb::MsMs 2368974 Specdb::MsMs 2368975 Specdb::MsMs 2368976 Specdb::MsMs 2499881 Specdb::MsMs 2499882 Specdb::MsMs 2499883 Specdb::MsMs 2591497 Specdb::MsMs 2591498 Specdb::MsMs 2591499 Specdb::MsMs 2904822 Specdb::MsMs 2904823 Specdb::MsMs 2904824 FDB071794 74863969 131808172