1.0 2020-03-26 13:10:13 UTC 2020-04-22 20:20:54 UTC BMDB0109500 TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/O-18:0) 1-(7Z,10Z,13Z,16Z,19Z-Docosapentaenoyl)-2-(15Z-tetracosanoyl)-3-octadecanyl-glycerol 1-Docosapentaenoyl-2-nervonoyl-3-stearyl-glycerol TAG(22:5/24:1/18:0) TAG(64:6) TG(22:5/24:1/18:0) TG(64:6) Tracylglycerol(22:5/24:1/18:0) Tracylglycerol(64:6) Triacylglycerol Triglyceride TG(22:5(7Z,10Z,13Z,16Z,19Z)/24:1(15Z)/o-18:0) (2R)-1-[(7Z,10Z,13Z,16Z,19Z)-Docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoic acid C67H120O5 1005.692 1004.913576964 (2R)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoate (2R)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoate [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-/t65-/m1/s1 VSWOUZADGFWLMY-FEZVQRNQSA-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 11.09 ALOGPS logs -8.31 ALOGPS logp 24.25 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac (2R)-1-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-(octadecyloxy)propan-2-yl (15Z)-tetracos-15-enoate ChemAxon average_mass 1005.692 ChemAxon mono_mass 1004.913576964 ChemAxon smiles [H][C@@](COCCCCCCCCCCCCCCCCCC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC ChemAxon formula C67H120O5 ChemAxon inchi InChI=1S/C67H120O5/c1-4-7-10-13-16-19-22-25-28-31-33-34-36-38-40-43-46-49-52-55-58-61-67(69)72-65(63-70-62-59-56-53-50-47-44-41-30-27-24-21-18-15-12-9-6-3)64-71-66(68)60-57-54-51-48-45-42-39-37-35-32-29-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-26,28-29,35,37,42,45,65H,4-7,9-10,12-16,18-19,21-24,27,30-34,36,38-41,43-44,46-64H2,1-3H3/b11-8-,20-17-,28-25-,29-26-,37-35-,45-42-/t65-/m1/s1 ChemAxon inchikey VSWOUZADGFWLMY-FEZVQRNQSA-N ChemAxon polar_surface_area 61.83 ChemAxon refractivity 321.85 ChemAxon polarizability 135.2 ChemAxon rotatable_bond_count 60 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 230470 Specdb::MsMs 901231 Specdb::MsMs 901232 Specdb::MsMs 901233 Specdb::MsMs 946120 Specdb::MsMs 946121 Specdb::MsMs 946122 Specdb::MsMs 2313296 Specdb::MsMs 2313297 Specdb::MsMs 2313298 Specdb::MsMs 2652290 Specdb::MsMs 2652291 Specdb::MsMs 2652292 131766352