1.0 2020-03-26 02:13:29 UTC 2020-04-22 19:32:16 UTC BMDB0101839 TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) 1-Lignoceroyl-2-docosapentaenoyl-3-vaccenoyl-glycerol 1-Tetracosanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(11Z-octadecenoyl)-glycerol TAG(24:0/22:5/18:1) TAG(64:6) TG(24:0/22:5/18:1) TG(64:6) Tracylglycerol(24:0/22:5/18:1) Tracylglycerol(64:6) Triacylglycerol Triglyceride TG(24:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) C67H118O6 1019.675 1018.89284152 (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl tetracosanoate (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-/t64-/m1/s1 ZWOIVLDZUOYBJG-GFFIXQFKSA-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 10.93 ALOGPS logs -8.25 ALOGPS logp 23.87 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propyl tetracosanoate ChemAxon average_mass 1019.675 ChemAxon mono_mass 1018.89284152 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C67H118O6 ChemAxon inchi InChI=1S/C67H118O6/c1-4-7-10-13-16-19-22-25-28-30-32-33-35-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h8,11,17,20-21,24,26,29,34,37,43,46,64H,4-7,9-10,12-16,18-19,22-23,25,27-28,30-33,35-36,38-42,44-45,47-63H2,1-3H3/b11-8-,20-17-,24-21-,29-26-,37-34-,46-43-/t64-/m1/s1 ChemAxon inchikey ZWOIVLDZUOYBJG-GFFIXQFKSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 321.61 ChemAxon polarizability 134.71 ChemAxon rotatable_bond_count 60 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 234425 Specdb::MsMs 676312 Specdb::MsMs 676313 Specdb::MsMs 676314 Specdb::MsMs 967129 Specdb::MsMs 967130 Specdb::MsMs 967131 Specdb::MsMs 2359418 Specdb::MsMs 2359419 Specdb::MsMs 2359420 Specdb::MsMs 2515977 Specdb::MsMs 2515978 Specdb::MsMs 2515979 Specdb::MsMs 2605667 Specdb::MsMs 2605668 Specdb::MsMs 2605669 Specdb::MsMs 2616447 Specdb::MsMs 2616448 Specdb::MsMs 2616449 Specdb::MsMs 2838207 Specdb::MsMs 2838208 Specdb::MsMs 2838209 131758498