1.0 2020-03-26 06:14:25 UTC 2020-04-22 19:47:34 UTC BMDB0104255 TG(20:1(11Z)/18:0/O-18:0) 1-(11-Eicosenoyl)-2-octadecanoyl-3-octadecanyl-glycerol 1-Eicosenoyl-2-stearoyl-3-stearyl-glycerol TAG(20:1/18:0/18:0) TAG(56:1) TG(20:1/18:0/18:0) TG(56:1) Tracylglycerol(20:1/18:0/18:0) Tracylglycerol(56:1) Triacylglycerol Triglyceride TG(20:1(11Z)/18:0/o-18:0) (2R)-2-(Octadecanoyloxy)-3-(octadecyloxy)propyl (11Z)-icos-11-enoic acid C59H114O5 903.556 902.866626771 (2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl (11Z)-icos-11-enoate (2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl (11Z)-icos-11-enoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-/t57-/m1/s1 DNDQJEPSXBZSNW-DFOJIGQQSA-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 10.87 ALOGPS logs -7.92 ALOGPS logp 22.5 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-2-(octadecanoyloxy)-3-(octadecyloxy)propyl (11Z)-icos-11-enoate ChemAxon average_mass 903.556 ChemAxon mono_mass 902.866626771 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC ChemAxon formula C59H114O5 ChemAxon inchi InChI=1S/C59H114O5/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-40-43-46-49-52-58(60)63-56-57(55-62-54-51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2)64-59(61)53-50-47-44-41-38-35-31-27-24-21-18-15-12-9-6-3/h25,28,57H,4-24,26-27,29-56H2,1-3H3/b28-25-/t57-/m1/s1 ChemAxon inchikey DNDQJEPSXBZSNW-DFOJIGQQSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 279.46 ChemAxon polarizability 124.82 ChemAxon rotatable_bond_count 57 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 308419 Specdb::MsMs 308420 Specdb::MsMs 308421 Specdb::MsMs 352588 Specdb::MsMs 352589 Specdb::MsMs 352590 Specdb::MsMs 2775254 Specdb::MsMs 2775255 Specdb::MsMs 2775256 Specdb::MsMs 2906991 Specdb::MsMs 2906992 Specdb::MsMs 2906993 131761127