2.0 2015-09-08 17:49:17 -0600 2015-12-09 15:39:58 -0700 ECMDB24096 M2MDB006213 DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(7Z,10Z,13Z,16Z)/0:0) DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:4(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)/22:4(7Z,10Z,13Z,16Z)/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway. C47H74O5 719.104 718.553625483 (2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate (2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-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/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C47H74O5/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/h5,7,11-14,17-20,23-26,29-32,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1 UOBZJTUXHMDYTP-UNIWNIHSSA-N logp 8.95 ALOGPS logs -7.66 ALOGPS solubility 1.58e-05 g/l ALOGPS logp 14.08 ChemAxon pka_strongest_acidic 13.63 ChemAxon pka_strongest_basic -3.4 ChemAxon iupac (2R)-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-2-hydroxypropyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate ChemAxon average_mass 719.104 ChemAxon mono_mass 718.553625483 ChemAxon smiles [H][C@@](O)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C47H74O5 ChemAxon inchi InChI=1S/C47H74O5/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/h5,7,11-14,17-20,23-26,29-32,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-44H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,31-29-,32-30-/t45-/m0/s1 ChemAxon inchikey UOBZJTUXHMDYTP-UNIWNIHSSA-N ChemAxon polar_surface_area 72.83 ChemAxon refractivity 232.96 ChemAxon polarizability 90.42 ChemAxon rotatable_bond_count 37 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 218455 Specdb::CMs 760109 Specdb::CMs 760110 Specdb::NmrOneD 264868 Specdb::NmrOneD 264869 Specdb::NmrOneD 264870 Specdb::NmrOneD 264871 Specdb::NmrOneD 264872 Specdb::NmrOneD 264873 Specdb::NmrOneD 264874 Specdb::NmrOneD 264875 Specdb::NmrOneD 264876 Specdb::NmrOneD 264877 Specdb::NmrOneD 264878 Specdb::NmrOneD 264879 Specdb::NmrOneD 264880 Specdb::NmrOneD 264881 Specdb::NmrOneD 264882 Specdb::NmrOneD 264883 Specdb::NmrOneD 264884 Specdb::NmrOneD 264885 Specdb::NmrOneD 264886 Specdb::NmrOneD 264887 Specdb::MsMs 2665018 Specdb::MsMs 2665019 Specdb::MsMs 2665020 Specdb::MsMs 3016317 Specdb::MsMs 3016318 Specdb::MsMs 3016319 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