1.0 2020-03-26 03:50:04 UTC 2020-04-22 19:37:13 UTC BMDB0102618 TG(16:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1-(9Z-Hexadecenoyl)-2-eicosanoyl-3-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-glycerol 1-Palmitoleoyl-2-arachidonyl-3-osbondoyl-glycerol TAG(16:1/20:0/22:5) TAG(58:6) TG(16:1/20:0/22:5) TG(58:6) Tracylglycerol(16:1/20:0/22:5) Tracylglycerol(58:6) Triacylglycerol Triglyceride TG(16:1(9Z)/20:0/22:5(4Z,7Z,10Z,13Z,16Z)) C61H106O6 935.513 934.798941133 (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,36,39,45,48,58H,4-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1 YVQASWWLNMNNGP-FWMBJHDDSA-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 10.87 ALOGPS logs -8.14 ALOGPS logp 21.2 ChemAxon pka_strongest_basic -6.6 ChemAxon iupac (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-(icosanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate ChemAxon average_mass 935.513 ChemAxon mono_mass 934.798941133 ChemAxon smiles [H][C@](COC(=O)CCCCCCC\C=C/CCCCCC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCCCCCCCCCCCC ChemAxon formula C61H106O6 ChemAxon inchi InChI=1S/C61H106O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-33-36-39-42-45-48-51-54-60(63)66-57-58(56-65-59(62)53-50-47-44-41-38-35-24-21-18-15-12-9-6-3)67-61(64)55-52-49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h16,19,21,24-25,27,30,32,36,39,45,48,58H,4-15,17-18,20,22-23,26,28-29,31,33-35,37-38,40-44,46-47,49-57H2,1-3H3/b19-16-,24-21-,27-25-,32-30-,39-36-,48-45-/t58-/m0/s1 ChemAxon inchikey YVQASWWLNMNNGP-FWMBJHDDSA-N ChemAxon polar_surface_area 78.9 ChemAxon refractivity 294 ChemAxon polarizability 122.08 ChemAxon rotatable_bond_count 54 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 228301 Specdb::MsMs 620380 Specdb::MsMs 620381 Specdb::MsMs 620382 Specdb::MsMs 944782 Specdb::MsMs 944783 Specdb::MsMs 944784 Specdb::MsMs 2371948 Specdb::MsMs 2371949 Specdb::MsMs 2371950 Specdb::MsMs 2419401 Specdb::MsMs 2419402 Specdb::MsMs 2419403 Specdb::MsMs 2543186 Specdb::MsMs 2543187 Specdb::MsMs 2543188 Specdb::MsMs 2900976 Specdb::MsMs 2900977 Specdb::MsMs 2900978 Specdb::MsMs 3040252 Specdb::MsMs 3040253 Specdb::MsMs 3040254 131759342