1.0 2020-03-05 04:33:38 UTC 2020-04-22 16:57:29 UTC BMDB0073641 BMDB73641 TG(i-24:0/20:0/i-19:0) 1-isotetracosanoyl-2-arachidoyl-3-isononadecanoyl-glycerol TG(i-24:0/20:0/i-19:0) TG(63:0) Tag(i-24:0/20:0/i-19:0) Tag(63:0) Triacylglycerol(i-24:0/20:0/i-19:0) Triacylglycerol(63:0) Triacylglycerol Triglyceride 1-isotetracosanoyl-2-eicosanoyl-3-isononadecanoyl-glycerol Tracylglycerol(63:0) 1-isotetracosanoyl-2-arachidonyl-3-isononadecanoyl-glycerol Tracylglycerol(i-24:0/20:0/i-19:0) C66H128O6 1017.744 1016.971091842 (2S)-2-(icosanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl 22-methyltricosanoate (2S)-2-(icosanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C66H128O6/c1-6-7-8-9-10-11-12-13-14-17-22-27-33-38-43-48-53-58-66(69)72-63(60-71-65(68)57-52-47-42-37-32-28-23-25-30-35-40-45-50-55-62(4)5)59-70-64(67)56-51-46-41-36-31-26-21-19-16-15-18-20-24-29-34-39-44-49-54-61(2)3/h61-63H,6-60H2,1-5H3/t63-/m0/s1 ZYEOPRXTLNYHGM-VGRRCQLWSA-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 10.43 ALOGPS logs -7.95 ALOGPS logp 25.28 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-(icosanoyloxy)-3-[(17-methyloctadecanoyl)oxy]propyl 22-methyltricosanoate ChemAxon average_mass 1017.744 ChemAxon mono_mass 1016.971091842 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C66H128O6 ChemAxon inchi InChI=1S/C66H128O6/c1-6-7-8-9-10-11-12-13-14-17-22-27-33-38-43-48-53-58-66(69)72-63(60-71-65(68)57-52-47-42-37-32-28-23-25-30-35-40-45-50-55-62(4)5)59-70-64(67)56-51-46-41-36-31-26-21-19-16-15-18-20-24-29-34-39-44-49-54-61(2)3/h61-63H,6-60H2,1-5H3/t63-/m0/s1 ChemAxon inchikey ZYEOPRXTLNYHGM-VGRRCQLWSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 310.2 ChemAxon polarizability 140.87 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 563482 Specdb::MsMs 563483 Specdb::MsMs 563484 Specdb::MsMs 2269129 Specdb::MsMs 2269130 Specdb::MsMs 2269131 Specdb::MsMs 2310510 Specdb::MsMs 2310511 Specdb::MsMs 2310512 Specdb::MsMs 2693525 Specdb::MsMs 2693526 Specdb::MsMs 2693527 Specdb::MsMs 2984714 Specdb::MsMs 2984715 Specdb::MsMs 2984716 Specdb::MsMs 3021261 Specdb::MsMs 3021262 Specdb::MsMs 3021263 131777255 FDB042265