1.0 2020-03-05 03:56:16 UTC 2020-04-22 16:53:58 UTC BMDB0073084 BMDB73084 TG(a-25:0/a-25:0/i-19:0)[rac] 1-anteisopentacosanoyl-2-anteisopentacosanoyl-3-isononadecanoyl-glycerol TG(a-25:0/a-25:0/i-19:0) TG(69:0) Tag(a-25:0/a-25:0/i-19:0) Tag(69:0) Triacylglycerol(a-25:0/a-25:0/i-19:0) Triacylglycerol(69:0) Triacylglycerol Triglyceride TG(a-25:0/a-25:0/i-19:0)[rac] Tracylglycerol(69:0) Tracylglycerol(a-25:0/a-25:0/i-19:0) C72H140O6 1101.906 1101.064992228 (2S)-1-[(17-methyloctadecanoyl)oxy]-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoate (2S)-1-[(17-methyloctadecanoyl)oxy]-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C72H140O6/c1-7-67(5)59-53-47-41-35-29-23-17-13-9-11-15-19-25-31-37-43-49-55-61-70(73)76-64-69(65-77-71(74)62-56-50-44-38-32-27-21-22-28-34-40-46-52-58-66(3)4)78-72(75)63-57-51-45-39-33-26-20-16-12-10-14-18-24-30-36-42-48-54-60-68(6)8-2/h66-69H,7-65H2,1-6H3/t67?,68?,69-/m0/s1 NRWMBPHQUGVCQD-BLAXRMDQSA-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 -7.99 ALOGPS logp 27.79 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(17-methyloctadecanoyl)oxy]-3-[(22-methyltetracosanoyl)oxy]propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 1101.906 ChemAxon mono_mass 1101.064992228 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)(COC(=O)CCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C72H140O6 ChemAxon inchi InChI=1S/C72H140O6/c1-7-67(5)59-53-47-41-35-29-23-17-13-9-11-15-19-25-31-37-43-49-55-61-70(73)76-64-69(65-77-71(74)62-56-50-44-38-32-27-21-22-28-34-40-46-52-58-66(3)4)78-72(75)63-57-51-45-39-33-26-20-16-12-10-14-18-24-30-36-42-48-54-60-68(6)8-2/h66-69H,7-65H2,1-6H3/t67?,68?,69-/m0/s1 ChemAxon inchikey NRWMBPHQUGVCQD-BLAXRMDQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 337.75 ChemAxon polarizability 153.25 ChemAxon rotatable_bond_count 68 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 592507 Specdb::MsMs 592508 Specdb::MsMs 592509 Specdb::MsMs 933580 Specdb::MsMs 933581 Specdb::MsMs 933582 Specdb::MsMs 2322883 Specdb::MsMs 2322884 Specdb::MsMs 2322885 Specdb::MsMs 2747989 Specdb::MsMs 2747990 Specdb::MsMs 2747991 Specdb::MsMs 2933595 Specdb::MsMs 2933596 Specdb::MsMs 2933597 Specdb::MsMs 2967735 Specdb::MsMs 2967736 Specdb::MsMs 2967737 Specdb::MsMs 3088000 Specdb::MsMs 3088001 Specdb::MsMs 3088002 131776815 FDB041708