1.0 2020-03-25 17:42:07 UTC 2020-04-22 19:07:05 UTC BMDB0097856 TG(15:0/15:0/24:1(15Z)) 1-Pentadecanoyl-2-pentadecanoyl-3-(15Z-tetracosanoyl)-glycerol 1-Pentadecanoyl-2-pentadecanoyl-3-nervonoyl-glycerol TAG(15:0/15:0/24:1) TAG(54:1) TG(15:0/15:0/24:1) TG(54:1) Tracylglycerol(15:0/15:0/24:1) Tracylglycerol(54:1) Triacylglycerol Triglyceride TG(15:0/15:0/24:1(15Z)) C57H108O6 889.485 888.814591198 (2S)-2,3-bis(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate (2S)-2,3-bis(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-35-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-/t54-/m0/s1 SSIXVUQNKRINJM-ZKWOCSCSSA-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 -7.91 ALOGPS logp 21.23 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2,3-bis(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate ChemAxon average_mass 889.485 ChemAxon mono_mass 888.814591198 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCC ChemAxon formula C57H108O6 ChemAxon inchi InChI=1S/C57H108O6/c1-4-7-10-13-16-19-22-25-26-27-28-29-30-31-32-33-36-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-35-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-23-20-17-14-11-8-5-2/h25-26,54H,4-24,27-53H2,1-3H3/b26-25-/t54-/m0/s1 ChemAxon inchikey SSIXVUQNKRINJM-ZKWOCSCSSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 270.01 ChemAxon polarizability 120.41 ChemAxon rotatable_bond_count 55 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 200794 Specdb::MsMs 660037 Specdb::MsMs 660038 Specdb::MsMs 660039 Specdb::MsMs 960658 Specdb::MsMs 960659 Specdb::MsMs 960660 Specdb::MsMs 2573507 Specdb::MsMs 2573508 Specdb::MsMs 2573509 Specdb::MsMs 2718402 Specdb::MsMs 2718403 Specdb::MsMs 2718404 Specdb::MsMs 2781442 Specdb::MsMs 2781443 Specdb::MsMs 2781444 Specdb::MsMs 2964411 Specdb::MsMs 2964412 Specdb::MsMs 2964413 Specdb::MsMs 3036752 Specdb::MsMs 3036753 Specdb::MsMs 3036754 131754136