1.0 2020-03-26 00:27:22 UTC 2020-04-22 19:24:13 UTC BMDB0100565 TG(22:0/15:0/16:1(9Z)) 1-Behenoyl-2-pentadecanoyl-3-palmitoleoyl-glycerol 1-Docosanoyl-2-pentadecanoyl-3-(9Z-hexadecenoyl)-glycerol TAG(22:0/15:0/16:1) TAG(53:1) TG(22:0/15:0/16:1) TG(53:1) Tracylglycerol(22:0/15:0/16:1) Tracylglycerol(53:1) Triacylglycerol Triglyceride TG(22:0/15:0/16:1(9Z)) C56H106O6 875.458 874.798941133 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl docosanoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl docosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m1/s1 IJNWEWYVNVZXMT-WYGCASPRSA-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 10.73 ALOGPS logs -7.90 ALOGPS logp 20.79 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(pentadecanoyloxy)propyl docosanoate ChemAxon average_mass 875.458 ChemAxon mono_mass 874.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C56H106O6 ChemAxon inchi InChI=1S/C56H106O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-32-35-37-40-43-46-49-55(58)61-52-53(62-56(59)50-47-44-41-38-33-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-34-31-23-20-17-14-11-8-5-2/h20,23,53H,4-19,21-22,24-52H2,1-3H3/b23-20-/t53-/m1/s1 ChemAxon inchikey IJNWEWYVNVZXMT-WYGCASPRSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 265.41 ChemAxon polarizability 118.56 ChemAxon rotatable_bond_count 54 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 199318 Specdb::MsMs 575020 Specdb::MsMs 575021 Specdb::MsMs 575022 Specdb::MsMs 926521 Specdb::MsMs 926522 Specdb::MsMs 926523 Specdb::MsMs 2430955 Specdb::MsMs 2430956 Specdb::MsMs 2430957 Specdb::MsMs 2692061 Specdb::MsMs 2692062 Specdb::MsMs 2692063 Specdb::MsMs 2859059 Specdb::MsMs 2859060 Specdb::MsMs 2859061 Specdb::MsMs 2989928 Specdb::MsMs 2989929 Specdb::MsMs 2989930 Specdb::MsMs 3030191 Specdb::MsMs 3030192 Specdb::MsMs 3030193 131757231