1.0 2020-03-07 10:37:48 UTC 2020-04-22 18:19:27 UTC BMDB0086565 BMDB86565 TG(16:0/a-25:0/21:0)[rac] 1-hexadecanoyl-2-anteisopentacosanoyl-3-heneicosyloyl-glycerol TAG(62:0) Triacylglycerol 1-palmitoyl-2-anteisopentacosanoyl-3-heneicosyloyl-glycerol TG(62:0) Triglyceride TG(16:0/a-25:0/21:0)[rac] Tracylglycerol(62:0) TG(16:0/a-25:0/21:0) Tracylglycerol(16:0/a-25:0/21:0) TAG(16:0/a-25:0/21:0) (2S)-1-(Henicosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl 22-methyltetracosanoic acid C65H126O6 1003.717 1002.955441777 (2S)-1-(henicosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl 22-methyltetracosanoate (2S)-1-(henicosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl 22-methyltetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC InChI=1S/C65H126O6/c1-5-8-10-12-14-16-18-20-21-22-26-29-33-37-41-45-49-53-57-64(67)70-60-62(59-69-63(66)56-52-48-44-40-36-31-19-17-15-13-11-9-6-2)71-65(68)58-54-50-46-42-38-34-30-27-24-23-25-28-32-35-39-43-47-51-55-61(4)7-3/h61-62H,5-60H2,1-4H3/t61?,62-/m0/s1 HFIXHQFLLQBUBT-CTAQDZMASA-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 10.60 ALOGPS logs -7.95 ALOGPS logp 24.99 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-(henicosanoyloxy)-3-(hexadecanoyloxy)propan-2-yl 22-methyltetracosanoate ChemAxon average_mass 1003.717 ChemAxon mono_mass 1002.955441777 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC ChemAxon formula C65H126O6 ChemAxon inchi InChI=1S/C65H126O6/c1-5-8-10-12-14-16-18-20-21-22-26-29-33-37-41-45-49-53-57-64(67)70-60-62(59-69-63(66)56-52-48-44-40-36-31-19-17-15-13-11-9-6-2)71-65(68)58-54-50-46-42-38-34-30-27-24-23-25-28-32-35-39-43-47-51-55-61(4)7-3/h61-62H,5-60H2,1-4H3/t61?,62-/m0/s1 ChemAxon inchikey HFIXHQFLLQBUBT-CTAQDZMASA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.65 ChemAxon polarizability 138.85 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::CMs 228206 Specdb::MsMs 683170 Specdb::MsMs 683171 Specdb::MsMs 683172 Specdb::MsMs 2307438 Specdb::MsMs 2307439 Specdb::MsMs 2307440 Specdb::MsMs 2397522 Specdb::MsMs 2397523 Specdb::MsMs 2397524 Specdb::MsMs 2541203 Specdb::MsMs 2541204 Specdb::MsMs 2541205 Specdb::MsMs 2584256 Specdb::MsMs 2584257 Specdb::MsMs 2584258 Specdb::MsMs 2689991 Specdb::MsMs 2689992 Specdb::MsMs 2689993 FDB077006 74869107 131813314