1.0 2020-03-26 01:36:15 UTC 2020-04-22 19:29:28 UTC BMDB0101397 TG(24:0/16:1(9Z)/18:3(9Z,12Z,15Z)) 1-Lignoceroyl-2-palmitoleoyl-3-a-linolenoyl-glycerol 1-Tetracosanoyl-2-(9Z-hexadecenoyl)-3-(9Z,12Z,15Z-octadeatrienoyl)-glycerol TAG(24:0/16:1/18:3) TAG(58:4) TG(24:0/16:1/18:3) TG(58:4) Tracylglycerol(24:0/16:1/18:3) Tracylglycerol(58:4) Triacylglycerol Triglyceride TG(24:0/16:1(9Z)/18:3(9Z,12Z,15Z)) C61H110O6 939.545 938.830241262 (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl tetracosanoate (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-/t58-/m1/s1 RCHRBILGWVSBMD-XNMIHLJYSA-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 10.85 ALOGPS logs -8.21 ALOGPS logp 21.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl tetracosanoate ChemAxon average_mass 939.545 ChemAxon mono_mass 938.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C61H110O6 ChemAxon inchi InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-34-37-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-35-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-36-33-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,33,58H,4-7,9-10,12-16,18-19,22-23,25,27-32,34-57H2,1-3H3/b11-8-,20-17-,24-21-,33-26-/t58-/m1/s1 ChemAxon inchikey RCHRBILGWVSBMD-XNMIHLJYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 291.77 ChemAxon polarizability 125.35 ChemAxon rotatable_bond_count 56 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 241955 Specdb::MsMs 628762 Specdb::MsMs 628763 Specdb::MsMs 628764 Specdb::MsMs 948154 Specdb::MsMs 948155 Specdb::MsMs 948156 Specdb::MsMs 2340690 Specdb::MsMs 2340691 Specdb::MsMs 2340692 Specdb::MsMs 2527671 Specdb::MsMs 2527672 Specdb::MsMs 2527673 Specdb::MsMs 2625674 Specdb::MsMs 2625675 Specdb::MsMs 2625676 Specdb::MsMs 2843097 Specdb::MsMs 2843098 Specdb::MsMs 2843099 Specdb::MsMs 2936069 Specdb::MsMs 2936070 Specdb::MsMs 2936071 131758057