1.0 2020-03-26 10:26:20 UTC 2020-04-22 20:07:49 UTC BMDB0107434 TG(20:3n6/24:0/20:4(5Z,8Z,11Z,14Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-tetracosanoyl-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Homo-g-linolenoyl-2-lignoceroyl-3-arachidonoyl-glycerol TAG(20:3/24:0/20:4) TAG(20:3n6/24:0/20:4) TAG(20:3W6/24:0/20:4) TAG(64:7) TG(20:3/24:0/20:4) TG(20:3n6/24:0/20:4) TG(20:3W6/24:0/20:4) TG(64:7) Tracylglycerol(20:3/24:0/20:4) Tracylglycerol(20:3n6/24:0/20:4) Tracylglycerol(20:3W6/24:0/20:4) Tracylglycerol(64:7) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-lignoceroyl-3-arachidonoyl-glycerol TG(20:3n6/24:0/20:4n6) TG(20:3W6/24:0/20:4W6) Tag(20:3(8Z,11Z,14Z)/24:0/20:4(5Z,8Z,11Z,14Z)) Tag(20:3n6/24:0/20:4n6) Tag(20:3W6/24:0/20:4W6) Triacylglycerol(20:3(8Z,11Z,14Z)/24:0/20:4(5Z,8Z,11Z,14Z)) Triacylglycerol(20:3/24:0/20:4) Triacylglycerol(20:3n6/24:0/20:4n6) Triacylglycerol(20:3W6/24:0/20:4W6) Triacylglycerol(64:7) TG(20:3(8Z,11Z,14Z)/24:0/20:4(5Z,8Z,11Z,14Z)) TG(20:3n6/24:0/20:4(5Z,8Z,11Z,14Z)) C67H116O6 1017.659 1016.877191455 (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl tetracosanoate (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl tetracosanoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1 AAMZNUSIHHMEQD-ZUFHXVCQSA-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 -8.15 ALOGPS logp 23.5 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl tetracosanoate ChemAxon average_mass 1017.659 ChemAxon mono_mass 1016.877191455 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC ChemAxon formula C67H116O6 ChemAxon inchi InChI=1S/C67H116O6/c1-4-7-10-13-16-19-22-25-28-31-32-33-34-37-40-43-46-49-52-55-58-61-67(70)73-64(62-71-65(68)59-56-53-50-47-44-41-38-35-29-26-23-20-17-14-11-8-5-2)63-72-66(69)60-57-54-51-48-45-42-39-36-30-27-24-21-18-15-12-9-6-3/h17-18,20-21,26-27,29-30,38-39,41-42,47,50,64H,4-16,19,22-25,28,31-37,40,43-46,48-49,51-63H2,1-3H3/b20-17-,21-18-,29-26-,30-27-,41-38-,42-39-,50-47-/t64-/m1/s1 ChemAxon inchikey AAMZNUSIHHMEQD-ZUFHXVCQSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 322.72 ChemAxon polarizability 133.8 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 621754 Specdb::MsMs 621755 Specdb::MsMs 621756 Specdb::MsMs 945328 Specdb::MsMs 945329 Specdb::MsMs 945330 Specdb::MsMs 2617775 Specdb::MsMs 2617776 Specdb::MsMs 2617777 Specdb::MsMs 2674945 Specdb::MsMs 2674946 Specdb::MsMs 2674947 Specdb::MsMs 2722911 Specdb::MsMs 2722912 Specdb::MsMs 2722913 Specdb::MsMs 2816353 Specdb::MsMs 2816354 Specdb::MsMs 2816355 Specdb::MsMs 3033320 Specdb::MsMs 3033321 Specdb::MsMs 3033322