1.0 2020-03-26 03:29:24 UTC 2020-04-22 19:35:34 UTC BMDB0102361 TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) 1-(9Z-Tetradecenoyl)-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-3-(11-eicosenoyl)-glycerol 1-Myristoleoyl-2-osbondoyl-3-eicosenoyl-glycerol TAG(14:1/22:5/20:1) TAG(56:7) TG(14:1/22:5/20:1) TG(56:7) Tracylglycerol(14:1/22:5/20:1) Tracylglycerol(56:7) Triacylglycerol Triglyceride TG(14:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:1(11Z)) C59H100O6 905.443 904.75199094 (2R)-1-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2R)-1-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,44,47,56H,4-14,17,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1 BHDQLYOSDNVJLL-LLXDWSTHSA-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 10.71 ALOGPS logs -8.12 ALOGPS logp 19.95 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2R)-1-[(11Z)-icos-11-enoyloxy]-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 905.443 ChemAxon mono_mass 904.75199094 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C59H100O6 ChemAxon inchi InChI=1S/C59H100O6/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,29,31,35,38,44,47,56H,4-14,17,20-23,28,30,32-34,36-37,39-43,45-46,48-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,31-29-,38-35-,47-44-/t56-/m0/s1 ChemAxon inchikey BHDQLYOSDNVJLL-LLXDWSTHSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 285.91 ChemAxon polarizability 116.66 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::MsMs 643462 Specdb::MsMs 643463 Specdb::MsMs 643464 Specdb::MsMs 954199 Specdb::MsMs 954200 Specdb::MsMs 954201 Specdb::MsMs 2354778 Specdb::MsMs 2354779 Specdb::MsMs 2354780 Specdb::MsMs 2435086 Specdb::MsMs 2435087 Specdb::MsMs 2435088 Specdb::MsMs 2493788 Specdb::MsMs 2493789 Specdb::MsMs 2493790 Specdb::MsMs 2526708 Specdb::MsMs 2526709 Specdb::MsMs 2526710 Specdb::MsMs 2809517 Specdb::MsMs 2809518 Specdb::MsMs 2809519 131759075