1.0 2020-03-06 03:29:49 UTC 2020-04-22 17:01:19 UTC BMDB0074246 BMDB74246 TG(a-25:0/14:0/i-24:0)[rac] 1-anteisopentacosanoyl-2-myristoyl-3-isotetracosanoyl-glycerol TG(a-25:0/14:0/i-24:0) TG(63:0) Tag(a-25:0/14:0/i-24:0) Tag(63:0) Triacylglycerol(a-25:0/14:0/i-24:0) Triacylglycerol(63:0) Triacylglycerol Triglyceride 1-anteisopentacosanoyl-2-tetradecanoyl-3-isotetracosanoyl-glycerol Tracylglycerol(63:0) TG(a-25:0/14:0/i-24:0)[rac] Tracylglycerol(a-25:0/14:0/i-24:0) C66H128O6 1017.744 1016.971091842 (2R)-3-[(22-methyltricosanoyl)oxy]-2-(tetradecanoyloxy)propyl 22-methyltetracosanoate (2R)-3-[(22-methyltricosanoyl)oxy]-2-(tetradecanoyloxy)propyl 22-methyltetracosanoate [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC InChI=1S/C66H128O6/c1-6-8-9-10-11-12-29-38-43-48-53-58-66(69)72-63(59-70-64(67)56-51-46-41-36-32-27-23-19-15-13-17-21-25-30-34-39-44-49-54-61(3)4)60-71-65(68)57-52-47-42-37-33-28-24-20-16-14-18-22-26-31-35-40-45-50-55-62(5)7-2/h61-63H,6-60H2,1-5H3/t62?,63-/m1/s1 WIRNFLNDJFKKKS-SCAWFODCSA-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 10.50 ALOGPS logs -7.95 ALOGPS logp 25.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(22-methyltricosanoyl)oxy]-2-(tetradecanoyloxy)propyl 22-methyltetracosanoate ChemAxon average_mass 1017.744 ChemAxon mono_mass 1016.971091842 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C66H128O6 ChemAxon inchi InChI=1S/C66H128O6/c1-6-8-9-10-11-12-29-38-43-48-53-58-66(69)72-63(59-70-64(67)56-51-46-41-36-32-27-23-19-15-13-17-21-25-30-34-39-44-49-54-61(3)4)60-71-65(68)57-52-47-42-37-33-28-24-20-16-14-18-22-26-31-35-40-45-50-55-62(5)7-2/h61-63H,6-60H2,1-5H3/t62?,63-/m1/s1 ChemAxon inchikey WIRNFLNDJFKKKS-SCAWFODCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.2 ChemAxon polarizability 140.88 ChemAxon rotatable_bond_count 63 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 637486 Specdb::MsMs 637487 Specdb::MsMs 637488 Specdb::MsMs 2313191 Specdb::MsMs 2313192 Specdb::MsMs 2313193 Specdb::MsMs 2338300 Specdb::MsMs 2338301 Specdb::MsMs 2338302 Specdb::MsMs 2975909 Specdb::MsMs 2975910 Specdb::MsMs 2975911 Specdb::MsMs 3060616 Specdb::MsMs 3060617 Specdb::MsMs 3060618 Specdb::MsMs 3110022 Specdb::MsMs 3110023 Specdb::MsMs 3110024 FDB042870