2.0 2015-09-08 17:49:16 -0600 2015-12-09 15:39:56 -0700 ECMDB24094 M2MDB006211 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0) DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C47H80O5 725.152 724.600575676 (2R)-3-[(13Z)-docos-13-enoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-3-[(13Z)-docos-13-enoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1 BJHJUOABIXWULJ-SFGJZKLGSA-N logp 10.35 ALOGPS logs -7.89 ALOGPS solubility 9.29e-06 g/l ALOGPS logp 15.17 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-[(13Z)-docos-13-enoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 725.152 ChemAxon mono_mass 724.600575676 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C47H80O5 ChemAxon inchi InChI=1S/C47H80O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-43-45(48)44-52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-20,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,21-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,20-18-,25-23-,31-29-/t45-/m0/s1 ChemAxon inchikey BJHJUOABIXWULJ-SFGJZKLGSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 229.61 ChemAxon polarizability 93.41 ChemAxon rotatable_bond_count 40 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 763577 Specdb::CMs 763578 Specdb::MsMs 2712578 Specdb::MsMs 2712579 Specdb::MsMs 2712580 Specdb::MsMs 2997014 Specdb::MsMs 2997015 Specdb::MsMs 2997016 Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A