2.0 2015-09-08 17:49:17 -0600 2015-12-09 15:39:59 -0700 ECMDB24097 M2MDB006214 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/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)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C47H72O5 717.088 716.537975418 (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C47H72O5/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/h5,7,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1 ZBPLRONTRAXZGX-FHZWKLANSA-N logp 8.71 ALOGPS logs -7.57 ALOGPS solubility 1.94e-05 g/l ALOGPS logp 13.72 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2S)-3-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 717.088 ChemAxon mono_mass 716.537975418 ChemAxon smiles [H][C@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C47H72O5 ChemAxon inchi InChI=1S/C47H72O5/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/h5,7,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-,38-36-/t45-/m0/s1 ChemAxon inchikey ZBPLRONTRAXZGX-FHZWKLANSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 234.08 ChemAxon polarizability 87.1 ChemAxon rotatable_bond_count 36 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 759069 Specdb::CMs 759070 Specdb::NmrOneD 268368 Specdb::NmrOneD 268369 Specdb::NmrOneD 268370 Specdb::NmrOneD 268371 Specdb::NmrOneD 268372 Specdb::NmrOneD 268373 Specdb::NmrOneD 268374 Specdb::NmrOneD 268375 Specdb::NmrOneD 268376 Specdb::NmrOneD 268377 Specdb::NmrOneD 268378 Specdb::NmrOneD 268379 Specdb::NmrOneD 268380 Specdb::NmrOneD 268381 Specdb::NmrOneD 268382 Specdb::NmrOneD 268383 Specdb::NmrOneD 268384 Specdb::NmrOneD 268385 Specdb::NmrOneD 268386 Specdb::NmrOneD 268387 Specdb::MsMs 2344043 Specdb::MsMs 2344044 Specdb::MsMs 2344045 Specdb::MsMs 2595385 Specdb::MsMs 2595386 Specdb::MsMs 2595387 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