1.0 2020-03-26 01:55:44 UTC 2020-04-22 19:30:57 UTC BMDB0101629 TG(24:0/20:3n6/18:2(9Z,12Z)) 1-Lignoceroyl-2-homo-g-linolenoyl-3-linoleoyl-glycerol 1-Tetracosanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-(9Z,12Z-octadecadienoyl)-glycerol TAG(24:0/20:3/18:2) TAG(24:0/20:3n6/18:2) TAG(24:0/20:3W6/18:2) TAG(62:5) TG(24:0/20:3/18:2) TG(24:0/20:3n6/18:2) TG(24:0/20:3W6/18:2) TG(62:5) Tracylglycerol(24:0/20:3/18:2) Tracylglycerol(24:0/20:3n6/18:2) Tracylglycerol(24:0/20:3W6/18:2) Tracylglycerol(62:5) Triacylglycerol Triglyceride 1-Lignoceroyl-2-dihomo-gamma-linolenoyl-3-linoleoyl-glycerol TG(24:0/20:3n6/18:2n6) TG(24:0/20:3W6/18:2W6) Tag(24:0/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) Tag(24:0/20:3n6/18:2n6) Tag(24:0/20:3W6/18:2W6) Triacylglycerol(24:0/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) Triacylglycerol(24:0/20:3/18:2) Triacylglycerol(24:0/20:3n6/18:2n6) Triacylglycerol(24:0/20:3W6/18:2W6) Triacylglycerol(62:5) TG(24:0/20:3(8Z,11Z,14Z)/18:2(9Z,12Z)) TG(24:0/20:3n6/18:2(9Z,12Z)) C65H116O6 993.637 992.877191455 (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl tetracosanoate (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41,62H,4-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-/t62-/m1/s1 OOTCKHSSQUTOEZ-SUAVLCRCSA-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 10.87 ALOGPS logs -8.24 ALOGPS logp 23.34 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl tetracosanoate ChemAxon average_mass 993.637 ChemAxon mono_mass 992.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C65H116O6 ChemAxon inchi InChI=1S/C65H116O6/c1-4-7-10-13-16-19-22-25-28-30-31-32-33-35-37-40-43-46-49-52-55-58-64(67)70-61-62(60-69-63(66)57-54-51-48-45-42-39-36-27-24-21-18-15-12-9-6-3)71-65(68)59-56-53-50-47-44-41-38-34-29-26-23-20-17-14-11-8-5-2/h17-18,20-21,26-27,29,36,38,41,62H,4-16,19,22-25,28,30-35,37,39-40,42-61H2,1-3H3/b20-17-,21-18-,29-26-,36-27-,41-38-/t62-/m1/s1 ChemAxon inchikey OOTCKHSSQUTOEZ-SUAVLCRCSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 311.29 ChemAxon polarizability 132.43 ChemAxon rotatable_bond_count 59 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 608455 Specdb::MsMs 608456 Specdb::MsMs 608457 Specdb::MsMs 939937 Specdb::MsMs 939938 Specdb::MsMs 939939 Specdb::MsMs 2455507 Specdb::MsMs 2455508 Specdb::MsMs 2455509 Specdb::MsMs 2480182 Specdb::MsMs 2480183 Specdb::MsMs 2480184 Specdb::MsMs 2512713 Specdb::MsMs 2512714 Specdb::MsMs 2512715 Specdb::MsMs 2828070 Specdb::MsMs 2828071 Specdb::MsMs 2828072 Specdb::MsMs 3008224 Specdb::MsMs 3008225 Specdb::MsMs 3008226 131758289