1.0 2020-03-26 11:36:21 UTC 2020-04-22 20:13:32 UTC BMDB0108335 TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z)) 1-(7Z,10Z,13Z,16Z-Docosatetraenoyl)-2-tetradecanoyl-3-(8Z,11Z,14Z,17Z-eicosapentaenoyl)-glycerol 1-Adrenoyl-2-myristoyl-3-eicsoatetraenoyl-glycerol TAG(22:4/14:0/20:4) TAG(56:8) TG(22:4/14:0/20:4) TG(56:8) Tracylglycerol(22:4/14:0/20:4) Tracylglycerol(56:8) Triacylglycerol Triglyceride TG(22:4(7Z,10Z,13Z,16Z)/14:0/20:4(8Z,11Z,14Z,17Z)) C59H98O6 903.427 902.736340876 (2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate (2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m1/s1 QISWQKLLTOHCLP-DWKRLVBNSA-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 10.48 ALOGPS logs -8.25 ALOGPS logp 19.59 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-3-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]-2-(tetradecanoyloxy)propyl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate ChemAxon average_mass 903.427 ChemAxon mono_mass 902.736340876 ChemAxon smiles [H][C@@](COC(=O)CCCCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCC ChemAxon formula C59H98O6 ChemAxon inchi InChI=1S/C59H98O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-27,29,31-32,34-35,38,56H,4-7,9-10,12-15,18,21-23,28,30,33,36-37,39-55H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,27-25-,31-29-,34-32-,38-35-/t56-/m1/s1 ChemAxon inchikey QISWQKLLTOHCLP-DWKRLVBNSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 287.03 ChemAxon polarizability 116.4 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 625132 Specdb::MsMs 625133 Specdb::MsMs 625134 Specdb::MsMs 946681 Specdb::MsMs 946682 Specdb::MsMs 946683 Specdb::MsMs 2663443 Specdb::MsMs 2663444 Specdb::MsMs 2663445 Specdb::MsMs 2732520 Specdb::MsMs 2732521 Specdb::MsMs 2732522 Specdb::MsMs 2976947 Specdb::MsMs 2976948 Specdb::MsMs 2976949 Specdb::MsMs 3066995 Specdb::MsMs 3066996 Specdb::MsMs 3066997 Specdb::MsMs 3104018 Specdb::MsMs 3104019 Specdb::MsMs 3104020 131765216