1.0 2020-03-25 18:40:28 UTC 2020-04-22 19:11:33 UTC BMDB0098561 TG(16:0/15:0/20:0) 1-Hexadecanoyl-2-pentadecanoyl-3-eicosanoyl-glycerol 1-Palmitoyl-2-pentadecanoyl-3-arachidonyl-glycerol TAG(16:0/15:0/20:0) TAG(51:0) TG(51:0) Tracylglycerol(16:0/15:0/20:0) Tracylglycerol(51:0) Triacylglycerol Triglyceride TG(16:0/15:0/20:0) C54H104O6 849.42 848.783291069 (2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl icosanoate (2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl icosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1 LFURUBNQCYUZJX-XHIZWQFQSA-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 10.64 ALOGPS logs -7.89 ALOGPS logp 20.26 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(hexadecanoyloxy)-2-(pentadecanoyloxy)propyl icosanoate ChemAxon average_mass 849.42 ChemAxon mono_mass 848.783291069 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C54H104O6 ChemAxon inchi InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-26-27-28-30-33-35-38-41-44-47-53(56)59-50-51(60-54(57)48-45-42-39-36-31-24-21-18-15-12-9-6-3)49-58-52(55)46-43-40-37-34-32-29-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/t51-/m0/s1 ChemAxon inchikey LFURUBNQCYUZJX-XHIZWQFQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 255.09 ChemAxon polarizability 115.7 ChemAxon rotatable_bond_count 53 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 685969 Specdb::MsMs 685970 Specdb::MsMs 685971 Specdb::MsMs 970951 Specdb::MsMs 970952 Specdb::MsMs 970953 Specdb::MsMs 2455225 Specdb::MsMs 2455226 Specdb::MsMs 2455227 Specdb::MsMs 2484105 Specdb::MsMs 2484106 Specdb::MsMs 2484107 Specdb::MsMs 2885024 Specdb::MsMs 2885025 Specdb::MsMs 2885026 Specdb::MsMs 3053192 Specdb::MsMs 3053193 Specdb::MsMs 3053194 Specdb::MsMs 3114506 Specdb::MsMs 3114507 Specdb::MsMs 3114508 131754972