1.02011-09-21 01:57:41 UTC2016-06-28 20:13:42 UTCFDB029564PGP(18:3(6Z,9Z,12Z)/18:0)PGP(18:3(6Z,9Z,12Z)/18:0) belongs to the class of glycerophosphoglycerophosphates, also called phosphatidylglycerophosphates (PGPs). These lipids contain a common glycerophosphate skeleton linked to at least one fatty acyl chain and a glycero-3-phosphate moiety. As is the case with diacylglycerols, phosphatidylglycerophosphates can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PGP(18:3(6Z,9Z,12Z)/18:0), in particular, consists of one 6Z,9Z,12Z-octadecatrienoyl chain to the C-1 atom, and one octadecanoyl to the C-2 atom. In E. coli, PGPs can be found in the cytoplasmic membrane. The are synthesized by the addition of glycerol 3-phosphate to a CDP-diacylglycerol. In turn, PGPs are dephosphorylated to Phosphatidylglycerols (PGs) by the enzyme Phosphatidylglycerophosphatase.1-g-Linolenoyl-2-stearoyl-sn-glycero-3-O-(1'-sn-glycerol-3'-ate)1-g-linolenoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)1-gamma-Linolenoyl-2-stearoyl-sn-glycero-3-O-(1'-sn-glycerol-3'-ate)1-gamma-linolenoyl-2-stearoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate)PGP(18:3/18:0)PGP(18:3n6/18:0)PGP(18:3w6/18:0)C42H78O13P2853.0084852.491765606[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphonic acid(2S)-2-hydroxy-3-{[hydroxy((2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(octadecanoyloxy)propoxy)phosphoryl]oxy}propoxyphosphonic acidCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)OInChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39-40,43H,3-10,12,14-16,18,20-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,19-17-,25-23-/t39-,40+/m0/s1BUTGJPALEJEZBL-VLJMGXKQSA-N belongs to the class of organic compounds known as phosphatidylglycerophosphates. These are glycerophosphoglycerophosphates in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages.PhosphatidylglycerophosphatesOrganic compoundsLipids and lipid-like moleculesGlycerophospholipidsGlycerophosphoglycerophosphatesAliphatic acyclic compoundsCarbonyl compoundsCarboxylic acid estersDialkyl phosphatesDicarboxylic acids and derivativesFatty acid estersGlycerophosphatesHydrocarbon derivativesMonoalkyl phosphatesOrganic oxidesSecondary alcoholsAlcoholAliphatic acyclic compoundAlkyl phosphateCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterDiacylglycerophosphoglycerophosphateDialkyl phosphateDicarboxylic acid or derivativesFatty acid esterFatty acylHydrocarbon derivativeMonoalkyl phosphateOrganic oxideOrganic oxygen compoundOrganic phosphoric acid derivativeOrganooxygen compoundPhosphoric acid esterSecondary alcoholSn-glycerol-3-phosphateSolidlogp7.43logs-6.12solubility6.44e-04 g/llogp11.51pka_strongest_acidic1.35pka_strongest_basic-3.4iupac[(2S)-2-hydroxy-3-({hydroxy[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-2-(octadecanoyloxy)propoxy]phosphoryl}oxy)propoxy]phosphonic acidaverage_mass853.0084mono_mass852.491765606smilesCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)OformulaC42H78O13P2inchiInChI=1S/C42H78O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,23,25,39-40,43H,3-10,12,14-16,18,20-22,24,26-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,19-17-,25-23-/t39-,40+/m0/s1inchikeyBUTGJPALEJEZBL-VLJMGXKQSA-Npolar_surface_area195.35refractivity227.94polarizability95.5rotatable_bond_count43acceptor_count8donor_count4physiological_charge-3formal_charge0Specdb::MsMs290197Specdb::MsMs290198Specdb::MsMs290199Specdb::MsMs329827Specdb::MsMs329828Specdb::MsMs329829Specdb::MsMs2670768Specdb::MsMs2670769Specdb::MsMs2670770Specdb::MsMs3010644Specdb::MsMs3010645Specdb::MsMs3010646HMDB13564