1.0 2020-03-25 18:13:48 UTC 2020-04-22 19:09:33 UTC BMDB0098245 TG(15:0/20:3n6/O-18:0) 1-Pentadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-3-octadecanyl-glycerol 1-Pentadecanoyl-2-homo-g-linolenoyl-3-stearyl-glycerol TAG(15:0/20:3/18:0) TAG(15:0/20:3n6/18:0) TAG(15:0/20:3W6/18:0) TAG(53:3) TG(15:0/20:3/18:0) TG(15:0/20:3n6/18:0) TG(15:0/20:3W6/18:0) TG(53:3) Tracylglycerol(15:0/20:3/18:0) Tracylglycerol(15:0/20:3n6/18:0) Tracylglycerol(15:0/20:3W6/18:0) Tracylglycerol(53:3) Triacylglycerol Triglyceride TG(15:0/20:3n6/o-18:0) (2R)-1-(Octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid C56H104O5 857.443 856.788376449 (2R)-1-(octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate (2R)-1-(octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m1/s1 ZGCRJNWQQJBXON-LWFFWPLASA-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 10.99 ALOGPS logs -8.16 ALOGPS logp 20.44 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-1-(octadecyloxy)-3-(pentadecanoyloxy)propan-2-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate ChemAxon average_mass 857.443 ChemAxon mono_mass 856.788376449 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C56H104O5 ChemAxon inchi InChI=1S/C56H104O5/c1-4-7-10-13-16-19-22-25-27-29-30-32-35-38-41-44-47-50-56(58)61-54(53-60-55(57)49-46-43-40-37-34-24-21-18-15-12-9-6-3)52-59-51-48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h16,19,25,27,30,32,54H,4-15,17-18,20-24,26,28-29,31,33-53H2,1-3H3/b19-16-,27-25-,32-30-/t54-/m1/s1 ChemAxon inchikey ZGCRJNWQQJBXON-LWFFWPLASA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 267.89 ChemAxon polarizability 115.89 ChemAxon rotatable_bond_count 52 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 234103 Specdb::MsMs 294265 Specdb::MsMs 294266 Specdb::MsMs 294267 Specdb::MsMs 334936 Specdb::MsMs 334937 Specdb::MsMs 334938 Specdb::MsMs 2684331 Specdb::MsMs 2684332 Specdb::MsMs 2684333 Specdb::MsMs 3024390 Specdb::MsMs 3024391 Specdb::MsMs 3024392 131754630