2.0 2012-05-31 14:46:32 -0600 2015-06-03 17:20:04 -0600 ECMDB20470 M2MDB001288 Dimyristoyl phosphatidate Dimyristoyl phosphatidate is a member of the chemical class known as Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid. Phosphatidates are precursors for many phosphoglycerides found in animals, plants and microbes including L-1-phosphatidylserine, L-1-phosphatidyl-ethanolamine, and cardiolipin. Dimyristoyl phosphatidate Dimyristoyl phosphatidic acid C31H59O8P 590.7691 590.394755376 (2R)-1-(phosphonatooxy)-3-(tetradecanoyloxy)propan-2-yl tetradecanoate (2R)-1-(phosphonatooxy)-3-(tetradecanoyloxy)propan-2-yl tetradecanoate [H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/p-2/t29-/m1/s1 OZSITQMWYBNPMW-GDLZYMKVSA-L Inner membrane Membrane Outer membrane logp 7.84 ALOGPS logs -6.63 ALOGPS solubility 1.47e-04 g/l ALOGPS logp 10.1 ChemAxon pka_strongest_acidic 1.32 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac (2R)-1-(phosphonatooxy)-3-(tetradecanoyloxy)propan-2-yl tetradecanoate ChemAxon average_mass 590.7691 ChemAxon mono_mass 590.394755376 ChemAxon smiles [H][C@@](COC(=O)CCCCCCCCCCCCC)(COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCC ChemAxon formula C31H59O8P ChemAxon inchi InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/p-2/t29-/m1/s1 ChemAxon inchikey OZSITQMWYBNPMW-GDLZYMKVSA-L ChemAxon polar_surface_area 125.02 ChemAxon refractivity 157.92 ChemAxon polarizability 70.43 ChemAxon rotatable_bond_count 32 ChemAxon acceptor_count 5 ChemAxon donor_count 0 ChemAxon physiological_charge -2 ChemAxon formal_charge -2 ChemAxon Specdb::NmrOneD 274678 Specdb::NmrOneD 274679 Specdb::NmrOneD 274680 Specdb::NmrOneD 274681 Specdb::NmrOneD 274682 Specdb::NmrOneD 274683 Specdb::NmrOneD 274684 Specdb::NmrOneD 274685 Specdb::NmrOneD 274686 Specdb::NmrOneD 274687 Specdb::NmrOneD 274688 Specdb::NmrOneD 274689 Specdb::NmrOneD 274690 Specdb::NmrOneD 274691 Specdb::NmrOneD 274692 Specdb::NmrOneD 274693 Specdb::NmrOneD 274694 Specdb::NmrOneD 274695 Specdb::NmrOneD 274696 Specdb::NmrOneD 274697 Specdb::MsMs 27017 Specdb::MsMs 27018 Specdb::MsMs 27019 Specdb::MsMs 33575 Specdb::MsMs 33576 Specdb::MsMs 33577 25202369 CPD0-1425 Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. 21097882 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 1-acyl-sn-glycerol-3-phosphate acyltransferase P26647 PLSC_ECOLI plsC http://ecmdb.ca/proteins/P26647.xml