2.0 2015-09-08 17:49:16 -0600 2015-12-09 15:39:55 -0700 ECMDB24093 M2MDB006210 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0) DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:0/0:0) 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)/22:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C47H82O5 727.168 726.61622574 (2R)-3-(docosanoyloxy)-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-3-(docosanoyloxy)-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C47H82O5/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/h5,7,11,13,17,19,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t45-/m0/s1 XUMBWGANMUGSQU-DOSZPRTLSA-N logp 10.63 ALOGPS logs -7.82 ALOGPS solubility 1.11e-05 g/l ALOGPS logp 15.53 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-(docosanoyloxy)-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 727.168 ChemAxon mono_mass 726.61622574 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C47H82O5 ChemAxon inchi InChI=1S/C47H82O5/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/h5,7,11,13,17,19,23,25,29,31,45,48H,3-4,6,8-10,12,14-16,18,20-22,24,26-28,30,32-44H2,1-2H3/b7-5-,13-11-,19-17-,25-23-,31-29-/t45-/m0/s1 ChemAxon inchikey XUMBWGANMUGSQU-DOSZPRTLSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 228.49 ChemAxon polarizability 94.86 ChemAxon rotatable_bond_count 41 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 764939 Specdb::CMs 764940 Specdb::NmrOneD 265908 Specdb::NmrOneD 265909 Specdb::NmrOneD 265910 Specdb::NmrOneD 265911 Specdb::NmrOneD 265912 Specdb::NmrOneD 265913 Specdb::NmrOneD 265914 Specdb::NmrOneD 265915 Specdb::NmrOneD 265916 Specdb::NmrOneD 265917 Specdb::NmrOneD 265918 Specdb::NmrOneD 265919 Specdb::NmrOneD 265920 Specdb::NmrOneD 265921 Specdb::NmrOneD 265922 Specdb::NmrOneD 265923 Specdb::NmrOneD 265924 Specdb::NmrOneD 265925 Specdb::NmrOneD 265926 Specdb::NmrOneD 265927 Specdb::MsMs 2750533 Specdb::MsMs 2750534 Specdb::MsMs 2750535 Specdb::MsMs 2927560 Specdb::MsMs 2927561 Specdb::MsMs 2927562 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