1.0 2020-03-26 03:35:36 UTC 2020-04-22 19:36:03 UTC BMDB0102437 TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 1-(9Z-Tetradecenoyl)-2-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-3-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-glycerol 1-Myristoleoyl-2-eicsoatetraenoyl-3-arachidonoyl-glycerol TAG(14:1/20:4/20:4) TAG(54:9) TG(14:1/20:4/20:4) TG(54:9) Tracylglycerol(14:1/20:4/20:4) Tracylglycerol(54:9) Triacylglycerol Triglyceride TG(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) C57H92O6 873.357 872.689390682 (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,38,41,54H,4-7,9-10,12-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1 LGWCWSXIIOKZCT-KPHKUTRNSA-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 10.04 ALOGPS logs -8.24 ALOGPS logp 18.33 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-1-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate ChemAxon average_mass 873.357 ChemAxon mono_mass 872.689390682 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C57H92O6 ChemAxon inchi InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h8,11,15-20,24-27,30-33,38,41,54H,4-7,9-10,12-14,21-23,28-29,34-37,39-40,42-53H2,1-3H3/b11-8-,18-15-,19-16-,20-17-,26-24-,27-25-,32-30-,33-31-,41-38-/t54-/m0/s1 ChemAxon inchikey LGWCWSXIIOKZCT-KPHKUTRNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 278.95 ChemAxon polarizability 109.28 ChemAxon rotatable_bond_count 47 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 240722 Specdb::MsMs 628501 Specdb::MsMs 628502 Specdb::MsMs 628503 Specdb::MsMs 948049 Specdb::MsMs 948050 Specdb::MsMs 948051 Specdb::MsMs 2366599 Specdb::MsMs 2366600 Specdb::MsMs 2366601 Specdb::MsMs 2666845 Specdb::MsMs 2666846 Specdb::MsMs 2666847 Specdb::MsMs 2712365 Specdb::MsMs 2712366 Specdb::MsMs 2712367 Specdb::MsMs 2996792 Specdb::MsMs 2996793 Specdb::MsMs 2996794 Specdb::MsMs 3077130 Specdb::MsMs 3077131 Specdb::MsMs 3077132 131759152