1.0 2020-03-26 04:57:22 UTC 2020-04-22 19:41:38 UTC BMDB0103319 TG(18:1(11Z)/18:1(9Z)/O-18:0) 1-(11Z-Octadecenoyl)-2-(9Z-octadecenoyl)-3-octadecanyl-glycerol 1-Vaccenoyl-2-oleoyl-3-stearyl-glycerol TAG(18:1/18:1/18:0) TAG(54:2) TG(18:1/18:1/18:0) TG(54:2) Tracylglycerol(18:1/18:1/18:0) Tracylglycerol(54:2) Triacylglycerol Triglyceride TG(18:1(11Z)/18:1(9Z)/o-18:0) (2R)-2-[(9Z)-Octadec-9-enoyloxy]-3-(octadecyloxy)propyl (11Z)-octadec-11-enoic acid C57H108O5 873.486 872.819676578 (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecyloxy)propyl (11Z)-octadec-11-enoate (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecyloxy)propyl (11Z)-octadec-11-enoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,30,55H,4-19,21-22,24-26,28-29,31-54H2,1-3H3/b23-20-,30-27-/t55-/m1/s1 MUVVSXKCOYPIJY-BAYWWFOLSA-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 21.25 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-2-[(9Z)-octadec-9-enoyloxy]-3-(octadecyloxy)propyl (11Z)-octadec-11-enoate ChemAxon average_mass 873.486 ChemAxon mono_mass 872.819676578 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C57H108O5 ChemAxon inchi InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-60-53-55(62-57(59)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)54-61-56(58)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h20,23,27,30,55H,4-19,21-22,24-26,28-29,31-54H2,1-3H3/b23-20-,30-27-/t55-/m1/s1 ChemAxon inchikey MUVVSXKCOYPIJY-BAYWWFOLSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 271.37 ChemAxon polarizability 118.76 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::MsMs 303280 Specdb::MsMs 303281 Specdb::MsMs 303282 Specdb::MsMs 346192 Specdb::MsMs 346193 Specdb::MsMs 346194 Specdb::MsMs 2415493 Specdb::MsMs 2415494 Specdb::MsMs 2415495 Specdb::MsMs 2547716 Specdb::MsMs 2547717 Specdb::MsMs 2547718 131760099