1.0 2020-03-26 00:58:29 UTC 2020-04-22 19:26:38 UTC BMDB0100950 TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Behenoyl-2-arachidonoyl-3-docosahexaenoyl-glycerol 1-Docosanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-3-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-glycerol TAG(22:0/20:4/22:6) TAG(64:10) TG(22:0/20:4/22:6) TG(64:10) Tracylglycerol(22:0/20:4/22:6) Tracylglycerol(64:10) Triacylglycerol Triglyceride TG(22:0/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C67H110O6 1011.611 1010.830241262 (2S)-3-(docosanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate (2S)-3-(docosanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1 XLTCLLIINKXTSM-LYWOLQNXSA-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 10.72 ALOGPS logs -8.32 ALOGPS logp 22.42 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-(docosanoyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate ChemAxon average_mass 1011.611 ChemAxon mono_mass 1010.830241262 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCCCCCCCCCCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C67H110O6 ChemAxon inchi InChI=1S/C67H110O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h7,10,16,18-19,21,25,27-28,30,33,36,40-41,43-44,49-50,52-53,64H,4-6,8-9,11-15,17,20,22-24,26,29,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b10-7-,19-16-,21-18-,28-25-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50-/t64-/m1/s1 ChemAxon inchikey XLTCLLIINKXTSM-LYWOLQNXSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 326.07 ChemAxon polarizability 128.96 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 245111 Specdb::MsMs 642151 Specdb::MsMs 642152 Specdb::MsMs 642153 Specdb::MsMs 953707 Specdb::MsMs 953708 Specdb::MsMs 953709 Specdb::MsMs 2580837 Specdb::MsMs 2580838 Specdb::MsMs 2580839 Specdb::MsMs 2687585 Specdb::MsMs 2687586 Specdb::MsMs 2687587 Specdb::MsMs 2786644 Specdb::MsMs 2786645 Specdb::MsMs 2786646 Specdb::MsMs 2907003 Specdb::MsMs 2907004 Specdb::MsMs 2907005 Specdb::MsMs 2993981 Specdb::MsMs 2993982 Specdb::MsMs 2993983 131757623