1.0 2020-03-26 11:01:02 UTC 2020-04-22 20:10:40 UTC BMDB0107885 TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(5Z,8Z,11Z,14Z-Eicosatetraenoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Arachidonoyl-2-g-linolenoyl-3-osbondoyl-glycerol TAG(20:4/18:3/22:5) TAG(60:12) TG(20:4/18:3/22:5) TG(60:12) Tracylglycerol(20:4/18:3/22:5) Tracylglycerol(60:12) Triacylglycerol Triglyceride TG(20:4(5Z,8Z,11Z,14Z)/18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) C63H98O6 951.471 950.736340876 (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-/t60-/m0/s1 QQYAMVYSIAUWII-JAQGIIPYSA-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 9.77 ALOGPS logs -8.13 ALOGPS logp 19.92 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 951.471 ChemAxon mono_mass 950.736340876 ChemAxon smiles [H][C@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C63H98O6 ChemAxon inchi InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-29,31,33-35,37-38,41-43,45-47,50,60H,4-15,22-24,30,32,36,39-40,44,48-49,51-59H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,45-42-,46-43-,50-47-/t60-/m0/s1 ChemAxon inchikey QQYAMVYSIAUWII-JAQGIIPYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 309.9 ChemAxon polarizability 118.59 ChemAxon rotatable_bond_count 50 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 607459 Specdb::MsMs 607460 Specdb::MsMs 607461 Specdb::MsMs 939538 Specdb::MsMs 939539 Specdb::MsMs 939540 Specdb::MsMs 2309841 Specdb::MsMs 2309842 Specdb::MsMs 2309843 Specdb::MsMs 2439829 Specdb::MsMs 2439830 Specdb::MsMs 2439831 Specdb::MsMs 2442487 Specdb::MsMs 2442488 Specdb::MsMs 2442489 Specdb::MsMs 2523264 Specdb::MsMs 2523265 Specdb::MsMs 2523266 Specdb::MsMs 3060442 Specdb::MsMs 3060443 Specdb::MsMs 3060444 131764799