1.0 2020-03-07 05:52:08 UTC 2020-04-22 17:51:54 UTC BMDB0082209 BMDB82209 TG(14:0/i-24:0/i-24:0) 1-tetradecanoyl-2-isotetracosanoyl-3-isotetracosanoyl-glycerol TAG(62:0) Triacylglycerol TAG(14:0/i-24:0/i-24:0) TG(62:0) Triglyceride Tracylglycerol(14:0/i-24:0/i-24:0) 1-myristoyl-2-isotetracosanoyl-3-isotetracosanoyl-glycerol Tracylglycerol(62:0) TG(14:0/i-24:0/i-24:0) C65H126O6 1003.717 1002.955441777 (2S)-1-[(22-methyltricosanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 22-methyltricosanoate (2S)-1-[(22-methyltricosanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 22-methyltricosanoate [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C InChI=1S/C65H126O6/c1-6-7-8-9-10-11-28-35-40-45-50-55-63(66)69-58-62(71-65(68)57-52-47-42-37-32-27-23-19-15-13-17-21-25-30-34-39-44-49-54-61(4)5)59-70-64(67)56-51-46-41-36-31-26-22-18-14-12-16-20-24-29-33-38-43-48-53-60(2)3/h60-62H,6-59H2,1-5H3/t62-/m0/s1 WJHINLACLGKRPM-PNVGIOEQSA-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 10.44 ALOGPS logs -7.95 ALOGPS logp 24.83 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(22-methyltricosanoyl)oxy]-3-(tetradecanoyloxy)propan-2-yl 22-methyltricosanoate ChemAxon average_mass 1003.717 ChemAxon mono_mass 1002.955441777 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C ChemAxon formula C65H126O6 ChemAxon inchi InChI=1S/C65H126O6/c1-6-7-8-9-10-11-28-35-40-45-50-55-63(66)69-58-62(71-65(68)57-52-47-42-37-32-27-23-19-15-13-17-21-25-30-34-39-44-49-54-61(4)5)59-70-64(67)56-51-46-41-36-31-26-22-18-14-12-16-20-24-29-33-38-43-48-53-60(2)3/h60-62H,6-59H2,1-5H3/t62-/m0/s1 ChemAxon inchikey WJHINLACLGKRPM-PNVGIOEQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 305.6 ChemAxon polarizability 138.68 ChemAxon rotatable_bond_count 62 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 574330 Specdb::MsMs 574331 Specdb::MsMs 574332 Specdb::MsMs 2674720 Specdb::MsMs 2674721 Specdb::MsMs 2674722 Specdb::MsMs 2726972 Specdb::MsMs 2726973 Specdb::MsMs 2726974 Specdb::MsMs 2794625 Specdb::MsMs 2794626 Specdb::MsMs 2794627 Specdb::MsMs 2884073 Specdb::MsMs 2884074 Specdb::MsMs 2884075 Specdb::MsMs 3086641 Specdb::MsMs 3086642 Specdb::MsMs 3086643 FDB072606 74864781 131808984