1.0 2020-03-26 01:28:34 UTC 2020-04-22 19:28:53 UTC BMDB0101305 TG(24:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1-Lignoceroyl-2-arachidonyl-3-docosapentaenoyl-glycerol 1-Tetracosanoyl-2-eicosanoyl-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol TAG(24:0/20:0/22:5) TAG(66:5) TG(24:0/20:0/22:5) TG(66:5) Tracylglycerol(24:0/20:0/22:5) Tracylglycerol(66:5) Triacylglycerol Triglyceride TG(24:0/20:0/22:5(7Z,10Z,13Z,16Z,19Z)) C69H124O6 1049.745 1048.939791713 (2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(icosanoyloxy)propyl tetracosanoate (2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(icosanoyloxy)propyl tetracosanoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-/t66-/m1/s1 XDRFHSFDRNWDRE-ZLQYXCQISA-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 -8.24 ALOGPS logp 25.12 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(icosanoyloxy)propyl tetracosanoate ChemAxon average_mass 1049.745 ChemAxon mono_mass 1048.939791713 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C69H124O6 ChemAxon inchi InChI=1S/C69H124O6/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-39-41-44-47-50-53-56-59-62-68(71)74-65-66(75-69(72)63-60-57-54-51-48-45-42-37-30-27-24-21-18-15-12-9-6-3)64-73-67(70)61-58-55-52-49-46-43-40-38-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,26,29,35,38,43,46,66H,4-7,9-10,12-16,18-19,21-25,27-28,30-34,36-37,39-42,44-45,47-65H2,1-3H3/b11-8-,20-17-,29-26-,38-35-,46-43-/t66-/m1/s1 ChemAxon inchikey XDRFHSFDRNWDRE-ZLQYXCQISA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 329.69 ChemAxon polarizability 141.12 ChemAxon rotatable_bond_count 63 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 230607 Specdb::MsMs 608173 Specdb::MsMs 608174 Specdb::MsMs 608175 Specdb::MsMs 939841 Specdb::MsMs 939842 Specdb::MsMs 939843 Specdb::MsMs 2274981 Specdb::MsMs 2274982 Specdb::MsMs 2274983 Specdb::MsMs 2299113 Specdb::MsMs 2299114 Specdb::MsMs 2299115 Specdb::MsMs 2673443 Specdb::MsMs 2673444 Specdb::MsMs 2673445 Specdb::MsMs 3044746 Specdb::MsMs 3044747 Specdb::MsMs 3044748 Specdb::MsMs 3090878 Specdb::MsMs 3090879 Specdb::MsMs 3090880 131757966