1.0 2020-03-26 05:42:08 UTC 2020-04-22 19:45:05 UTC BMDB0103862 TG(18:1(9Z)/20:1(11Z)/O-18:0) 1-(9Z-Octadecenoyl)-2-(11-eicosenoyl)-3-octadecanyl-glycerol 1-Oleoyl-2-eicosenoyl-3-stearyl-glycerol TAG(18:1/20:1/18:0) TAG(56:2) TG(18:1/20:1/18:0) TG(56:2) Tracylglycerol(18:1/20:1/18:0) Tracylglycerol(56:2) Triacylglycerol Triglyceride TG(18:1(9Z)/20:1(11Z)/o-18:0) (2R)-1-[(9Z)-Octadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoic acid C59H112O5 901.54 900.850976706 (2R)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate (2R)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-/t57-/m1/s1 MWZGBHBJOPROOU-LFAHWVCXSA-N belongs to the class of organic compounds known as alkyldiacylglycerols. These are triradylglycerols that carry exactly two acyl chains attached to the glycerol moiety through an ester linkage, and one attached through an ester linkage. Organic compounds Lipids and lipid-like molecules Glycerolipids Triradylcglycerols Alkyldiacylglycerols Carbonyl compounds Carboxylic acid esters Dialkyl ethers Dicarboxylic acids and derivatives Fatty acid esters Glycerol ethers Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Alkyldiacylglycerol Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl ether Dicarboxylic acid or derivatives Ether Fatty acid ester Fatty acyl Glycerol ether Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Aliphatic acyclic compounds logp 10.97 ALOGPS logs -8.01 ALOGPS logp 22.14 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-1-[(9Z)-octadec-9-enoyloxy]-3-(octadecyloxy)propan-2-yl (11Z)-icos-11-enoate ChemAxon average_mass 901.54 ChemAxon mono_mass 900.850976706 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C59H112O5 ChemAxon inchi InChI=1S/C59H112O5/c1-4-7-10-13-16-19-22-25-28-30-32-35-38-41-44-47-50-53-59(61)64-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)56-63-58(60)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h25,27-28,31,57H,4-24,26,29-30,32-56H2,1-3H3/b28-25-,31-27-/t57-/m1/s1 ChemAxon inchikey MWZGBHBJOPROOU-LFAHWVCXSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 280.58 ChemAxon polarizability 123.05 ChemAxon rotatable_bond_count 56 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 291268 Specdb::MsMs 291269 Specdb::MsMs 291270 Specdb::MsMs 331132 Specdb::MsMs 331133 Specdb::MsMs 331134 Specdb::MsMs 2691740 Specdb::MsMs 2691741 Specdb::MsMs 2691742 Specdb::MsMs 2989829 Specdb::MsMs 2989830 Specdb::MsMs 2989831 Specdb::CMs 211126 131760702