1.0 2020-03-26 06:52:29 UTC 2020-04-22 19:50:26 UTC BMDB0104705 TG(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z)) 1-(5Z,8Z,11Z-Eicosatrienoyl)-2-tetradecanoyl-3-(9Z,12Z-octadecadienoyl)-glycerol 1-Meadoyl-2-myristoyl-3-linoleoyl-glycerol TAG(20:3/14:0/18:2) TAG(52:5) TG(20:3/14:0/18:2) TG(52:5) Tracylglycerol(20:3/14:0/18:2) Tracylglycerol(52:5) Triacylglycerol Triglyceride TG(20:3(5Z,8Z,11Z)/14:0/18:2(9Z,12Z)) C55H96O6 853.367 852.720690811 (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,36,39,52H,4-16,18-19,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1 CSHNWGMOFDDION-DFTHNFDESA-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 10.70 ALOGPS logs -8.12 ALOGPS logp 18.89 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-2-(tetradecanoyloxy)propyl (5Z,8Z,11Z)-icosa-5,8,11-trienoate ChemAxon average_mass 853.367 ChemAxon mono_mass 852.720690811 ChemAxon smiles [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C55H96O6 ChemAxon inchi InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h17,20,24-26,28-29,31,36,39,52H,4-16,18-19,21-23,27,30,32-35,37-38,40-51H2,1-3H3/b20-17-,26-24-,28-25-,31-29-,39-36-/t52-/m1/s1 ChemAxon inchikey CSHNWGMOFDDION-DFTHNFDESA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 265.28 ChemAxon polarizability 110.82 ChemAxon rotatable_bond_count 49 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 594796 Specdb::MsMs 594797 Specdb::MsMs 594798 Specdb::MsMs 934480 Specdb::MsMs 934481 Specdb::MsMs 934482 Specdb::MsMs 2370605 Specdb::MsMs 2370606 Specdb::MsMs 2370607 Specdb::MsMs 2409169 Specdb::MsMs 2409170 Specdb::MsMs 2409171 Specdb::MsMs 2906337 Specdb::MsMs 2906338 Specdb::MsMs 2906339 Specdb::MsMs 3049091 Specdb::MsMs 3049092 Specdb::MsMs 3049093 Specdb::MsMs 3118849 Specdb::MsMs 3118850 Specdb::MsMs 3118851 131761603