1.0 2020-03-26 03:14:39 UTC 2020-04-22 19:34:25 UTC BMDB0102179 TG(14:1(9Z)/22:1(13Z)/O-18:0) 1-(9Z-Tetradecenoyl)-2-(13Z-docosenoyl)-3-octadecanyl-glycerol 1-Myristoleoyl-2-erucoyl-3-stearyl-glycerol TAG(14:1/22:1/18:0) TAG(54:2) TG(14:1/22:1/18:0) TG(54:2) Tracylglycerol(14:1/22:1/18:0) Tracylglycerol(54:2) Triacylglycerol Triglyceride TG(14:1(9Z)/22:1(13Z)/o-18:0) (2R)-1-(Octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoic acid C57H108O5 873.486 872.819676578 (2R)-1-(octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoate (2R)-1-(octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-/t55-/m1/s1 WNMUYHREOSFLNY-PDQAXAAQSA-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)-1-(octadecyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propan-2-yl (13Z)-docos-13-enoate ChemAxon average_mass 873.486 ChemAxon mono_mass 872.819676578 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C/CCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C57H108O5 ChemAxon inchi InChI=1S/C57H108O5/c1-4-7-10-13-16-19-22-24-26-28-29-30-31-33-36-39-42-45-48-51-57(59)62-55(54-61-56(58)50-47-44-41-38-35-21-18-15-12-9-6-3)53-60-52-49-46-43-40-37-34-32-27-25-23-20-17-14-11-8-5-2/h15,18,24,26,55H,4-14,16-17,19-23,25,27-54H2,1-3H3/b18-15-,26-24-/t55-/m1/s1 ChemAxon inchikey WNMUYHREOSFLNY-PDQAXAAQSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 271.37 ChemAxon polarizability 119.12 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 309490 Specdb::MsMs 309491 Specdb::MsMs 309492 Specdb::MsMs 353932 Specdb::MsMs 353933 Specdb::MsMs 353934 Specdb::MsMs 3052748 Specdb::MsMs 3052749 Specdb::MsMs 3052750 Specdb::MsMs 3114185 Specdb::MsMs 3114186 Specdb::MsMs 3114187 131758886