2.02012-05-31 14:46:29 -06002015-06-03 17:20:04 -0600ECMDB20469M2MDB001287Distearoyl phosphatidateDistearoyl 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. Distearoyl phosphatidateDistearoyl phosphatidic acidC39H75O8P702.9818702.519955888(2R)-1-(octadecanoyloxy)-3-(phosphonatooxy)propan-2-yl octadecanoate(2R)-1-(octadecanoyloxy)-3-(phosphonatooxy)propan-2-yl octadecanoate[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCCInChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-2/t37-/m1/s1YFWHNAWEOZTIPI-DIPNUNPCSA-LInner membraneMembraneOuter membranelogp9.12logs-7.23solubility4.34e-05 g/llogp13.66pka_strongest_acidic1.32pka_strongest_basic-6.7iupac(2R)-1-(octadecanoyloxy)-3-(phosphonatooxy)propan-2-yl octadecanoateaverage_mass702.9818mono_mass702.519955888smiles[H][C@@](COC(=O)CCCCCCCCCCCCCCCCC)(COP([O-])([O-])=O)OC(=O)CCCCCCCCCCCCCCCCCformulaC39H75O8PinchiInChI=1S/C39H77O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37H,3-36H2,1-2H3,(H2,42,43,44)/p-2/t37-/m1/s1inchikeyYFWHNAWEOZTIPI-DIPNUNPCSA-Lpolar_surface_area125.02refractivity194.73polarizability87.41rotatable_bond_count40acceptor_count5donor_count0physiological_charge-2formal_charge-2Specdb::NmrOneD261408Specdb::NmrOneD261409Specdb::NmrOneD261410Specdb::NmrOneD261411Specdb::NmrOneD261412Specdb::NmrOneD261413Specdb::NmrOneD261414Specdb::NmrOneD261415Specdb::NmrOneD261416Specdb::NmrOneD261417Specdb::NmrOneD261418Specdb::NmrOneD261419Specdb::NmrOneD261420Specdb::NmrOneD261421Specdb::NmrOneD261422Specdb::NmrOneD261423Specdb::NmrOneD261424Specdb::NmrOneD261425Specdb::NmrOneD261426Specdb::NmrOneD261427Specdb::MsMs28691Specdb::MsMs28692Specdb::MsMs28693Specdb::MsMs35249Specdb::MsMs35250Specdb::MsMs3525125200924CPD0-1423Keseler, 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-D590.21097882Yurtsever D. (2007). Fatty acid methyl ester profiling of Enterococcus and Esherichia coli for microbial source tracking. M.sc. Thesis. Villanova University: U.S.A1-acyl-sn-glycerol-3-phosphate acyltransferaseP26647PLSC_ECOLIplsChttp://ecmdb.ca/proteins/P26647.xml