1.0 2020-03-04 21:20:11 UTC 2020-04-22 16:36:49 UTC BMDB0070379 BMDB70379 TG(i-21:0/i-22:0/a-17:0)[rac] 1-anteisoheptadecanoyl-2-isodocosanoyl-3-isoheneicosanoyl-glycerol TG(a-17:0/i-22:0/i-21:0) Tracylglycerol(a-17:0/i-22:0/i-21:0) TAG(a-17:0/i-22:0/i-21:0) TG(a-17:0/i-22:0/i-21:0)[rac] Triacylglycerol Triglyceride TAG(60:0) Tracylglycerol(60:0) TG(60:0) (2R)-1-[(14-Methylhexadecanoyl)oxy]-3-[(19-methylicosanoyl)oxy]propan-2-yl 20-methylhenicosanoic acid C63H122O6 975.663 974.924141648 (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(19-methylicosanoyl)oxy]propan-2-yl 20-methylhenicosanoate (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(19-methylicosanoyl)oxy]propan-2-yl 20-methylhenicosanoate CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C63H122O6/c1-7-59(6)51-45-39-33-27-23-24-29-35-41-47-53-62(65)68-56-60(55-67-61(64)52-46-40-34-28-21-17-14-10-12-16-20-26-32-38-44-50-58(4)5)69-63(66)54-48-42-36-30-22-18-13-9-8-11-15-19-25-31-37-43-49-57(2)3/h57-60H,7-56H2,1-6H3/t59?,60-/m1/s1 JYFFLJPLBCXZNG-UNMIHGIISA-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 10.41 ALOGPS logs -7.96 ALOGPS logp 23.79 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(14-methylhexadecanoyl)oxy]-3-[(19-methylicosanoyl)oxy]propan-2-yl 20-methylhenicosanoate ChemAxon average_mass 975.663 ChemAxon mono_mass 974.924141648 ChemAxon smiles CCC(C)CCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C63H122O6 ChemAxon inchi InChI=1S/C63H122O6/c1-7-59(6)51-45-39-33-27-23-24-29-35-41-47-53-62(65)68-56-60(55-67-61(64)52-46-40-34-28-21-17-14-10-12-16-20-26-32-38-44-50-58(4)5)69-63(66)54-48-42-36-30-22-18-13-9-8-11-15-19-25-31-37-43-49-57(2)3/h57-60H,7-56H2,1-6H3/t59?,60-/m1/s1 ChemAxon inchikey JYFFLJPLBCXZNG-UNMIHGIISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 296.35 ChemAxon polarizability 133.93 ChemAxon rotatable_bond_count 59 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 209235 Specdb::MsMs 650632 Specdb::MsMs 650633 Specdb::MsMs 650634 Specdb::MsMs 2448221 Specdb::MsMs 2448222 Specdb::MsMs 2448223 Specdb::MsMs 2652404 Specdb::MsMs 2652405 Specdb::MsMs 2652406 Specdb::MsMs 2869278 Specdb::MsMs 2869279 Specdb::MsMs 2869280 Specdb::MsMs 3051791 Specdb::MsMs 3051792 Specdb::MsMs 3051793 Specdb::MsMs 3114665 Specdb::MsMs 3114666 Specdb::MsMs 3114667 FDB079415 74871490 131815705