1.0 2020-03-07 02:18:39 UTC 2020-04-22 17:30:53 UTC BMDB0078876 BMDB78876 TG(13:0/15:0/i-17:0) 1-animal fats-2-pentadecanoyl-3-isoheptadecanoyl-glycerol Tracylglycerol(45:0) TG(45:0) TAG(13:0/15:0/i-17:0) Tracylglycerol(13:0/15:0/i-17:0) Triacylglycerol Triglyceride 1-tridecyloyl-2-pentadecanoyl-3-isoheptadecanoyl-glycerol TAG(45:0) TG(13:0/15:0/i-17:0) (2S)-2-(Pentadecanoyloxy)-3-(tridecanoyloxy)propyl 15-methylhexadecanoic acid C48H92O6 765.258 764.689390682 (2S)-2-(pentadecanoyloxy)-3-(tridecanoyloxy)propyl 15-methylhexadecanoate (2S)-2-(pentadecanoyloxy)-3-(tridecanoyloxy)propyl 15-methylhexadecanoate [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC InChI=1S/C48H92O6/c1-5-7-9-11-13-15-17-20-25-29-33-37-41-48(51)54-45(42-52-46(49)39-35-31-27-23-16-14-12-10-8-6-2)43-53-47(50)40-36-32-28-24-21-18-19-22-26-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1 ZCTZXOPXWZJXFC-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 10.32 ALOGPS logs -7.80 ALOGPS logp 17.43 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(pentadecanoyloxy)-3-(tridecanoyloxy)propyl 15-methylhexadecanoate ChemAxon average_mass 765.258 ChemAxon mono_mass 764.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C48H92O6 ChemAxon inchi InChI=1S/C48H92O6/c1-5-7-9-11-13-15-17-20-25-29-33-37-41-48(51)54-45(42-52-46(49)39-35-31-27-23-16-14-12-10-8-6-2)43-53-47(50)40-36-32-28-24-21-18-19-22-26-30-34-38-44(3)4/h44-45H,5-43H2,1-4H3/t45-/m0/s1 ChemAxon inchikey ZCTZXOPXWZJXFC-GWHBCOKCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 227.43 ChemAxon polarizability 102.47 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 605809 Specdb::MsMs 605810 Specdb::MsMs 605811 Specdb::MsMs 2309457 Specdb::MsMs 2309458 Specdb::MsMs 2309459 Specdb::MsMs 2457512 Specdb::MsMs 2457513 Specdb::MsMs 2457514 Specdb::MsMs 2656612 Specdb::MsMs 2656613 Specdb::MsMs 2656614 Specdb::MsMs 2886842 Specdb::MsMs 2886843 Specdb::MsMs 2886844 Specdb::MsMs 3004728 Specdb::MsMs 3004729 Specdb::MsMs 3004730 FDB069272 74861461 131805656