1.0 2020-03-26 06:19:49 UTC 2020-04-22 19:47:58 UTC BMDB0104319 TG(20:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 1-(11-Eicosenoyl)-2-(9Z-tetradecenoyl)-3-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-glycerol 1-Eicosenoyl-2-myristoleoyl-3-docosapentaenoyl-glycerol TAG(20:1/14:1/22:5) TAG(56:7) TG(20:1/14:1/22:5) TG(56:7) Tracylglycerol(20:1/14:1/22:5) Tracylglycerol(56:7) Triacylglycerol Triglyceride TG(20:1(11Z)/14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) C59H100O6 905.443 904.75199094 (2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC InChI=1S/C59H100O6/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/h7,10,15-16,18-19,24-27,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1 ATPQSPUPGSVDAJ-KCPDZCGYSA-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 10.67 ALOGPS logs -8.18 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(11Z)-icos-11-enoyloxy]-2-[(9Z)-tetradec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/CCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/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/h7,10,15-16,18-19,24-27,29,31,35,38,56H,4-6,8-9,11-14,17,20-23,28,30,32-34,36-37,39-55H2,1-3H3/b10-7-,18-15-,19-16-,26-24-,27-25-,31-29-,38-35-/t56-/m0/s1 ChemAxon inchikey ATPQSPUPGSVDAJ-KCPDZCGYSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 116.58 ChemAxon rotatable_bond_count 51 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 191086 Specdb::MsMs 606868 Specdb::MsMs 606869 Specdb::MsMs 606870 Specdb::MsMs 939274 Specdb::MsMs 939275 Specdb::MsMs 939276 Specdb::MsMs 2354449 Specdb::MsMs 2354450 Specdb::MsMs 2354451 Specdb::MsMs 2367148 Specdb::MsMs 2367149 Specdb::MsMs 2367150 Specdb::MsMs 2599754 Specdb::MsMs 2599755 Specdb::MsMs 2599756 Specdb::MsMs 2607669 Specdb::MsMs 2607670 Specdb::MsMs 2607671 Specdb::MsMs 2700301 Specdb::MsMs 2700302 Specdb::MsMs 2700303 131761197