1.0 2020-03-26 10:46:08 UTC 2020-04-22 20:09:25 UTC BMDB0107688 TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) 1-(8Z,11Z,14Z-Eicosatrienoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-3-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycerol 1-Homo-g-linolenoyl-2-docosapentaenoyl-3-adrenoyl-glycerol TAG(20:3/22:5/22:4) TAG(20:3n6/22:5/22:4) TAG(20:3W6/22:5/22:4) TAG(64:12) TG(20:3/22:5/22:4) TG(20:3n6/22:5/22:4) TG(20:3W6/22:5/22:4) TG(64:12) Tracylglycerol(20:3/22:5/22:4) Tracylglycerol(20:3n6/22:5/22:4) Tracylglycerol(20:3W6/22:5/22:4) Tracylglycerol(64:12) Triacylglycerol Triglyceride 1-Dihomo-gamma-linolenoyl-2-clupanodonoyl-3-adrenoyl-glycerol TG(20:3n6/22:5n3/22:4n6) TG(20:3W6/22:5W3/22:4W6) Tag(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) Tag(20:3n6/22:5n3/22:4n6) Tag(20:3W6/22:5W3/22:4W6) Triacylglycerol(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) Triacylglycerol(20:3/22:5/22:4) Triacylglycerol(20:3n6/22:5n3/22:4n6) Triacylglycerol(20:3W6/22:5W3/22:4W6) Triacylglycerol(64:12) TG(20:3(8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) TG(20:3n6/22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)) C67H106O6 1007.579 1006.798941133 (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t64-/m0/s1 QVFUWCLTABRENT-KSDXRZRDSA-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 10.08 ALOGPS logs -8.16 ALOGPS logp 21.69 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propan-2-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 1007.579 ChemAxon mono_mass 1006.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C67H106O6 ChemAxon inchi InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-39-42-45-48-51-54-57-60-66(69)72-63-64(62-71-65(68)59-56-53-50-47-44-41-38-35-30-27-24-21-18-15-12-9-6-3)73-67(70)61-58-55-52-49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h8,11,16-21,25-30,33-34,36-38,41-43,45-46,64H,4-7,9-10,12-15,22-24,31-32,35,39-40,44,47-63H2,1-3H3/b11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,37-34-,41-38-,45-42-,46-43-/t64-/m0/s1 ChemAxon inchikey QVFUWCLTABRENT-KSDXRZRDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 328.31 ChemAxon polarizability 127.92 ChemAxon rotatable_bond_count 54 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 583129 Specdb::MsMs 583130 Specdb::MsMs 583131 Specdb::MsMs 929722 Specdb::MsMs 929723 Specdb::MsMs 929724 Specdb::MsMs 2406134 Specdb::MsMs 2406135 Specdb::MsMs 2406136 Specdb::MsMs 2679664 Specdb::MsMs 2679665 Specdb::MsMs 2679666 Specdb::MsMs 2859152 Specdb::MsMs 2859153 Specdb::MsMs 2859154 Specdb::MsMs 2934953 Specdb::MsMs 2934954 Specdb::MsMs 2934955 Specdb::MsMs 3026205 Specdb::MsMs 3026206 Specdb::MsMs 3026207 131764607