1.0 2016-10-03 18:10:45 UTC 2020-05-20 22:58:54 UTC BMDB0010634 BMDB10634 PG(18:1(9Z)/18:1(9Z)) 1,2-Di-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 1,2-Di-[(9Z)-octadecenoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) 1,2-Dioleoyl-sn-3-phosphatidylglycerol 1,2-Dioleoyl-sn-glycero-3-phosphoglycerol PG(18:1/18:1) PG(18:1OMEGA9/18:1OMEGA9) PG(36:2) Phosphatidylglycerol(18:1/18:1) Phosphatidylglycerol(18:1omega9/18:1omega9) Phosphatidylglycerol(36:2) 1,2-Dioleoyl-sn-glycero-3-phosphoglycerol, (Z)-isomer 1,2-Dioleoylphosphatidylglycerol 1,2-Dioleoyl-sn-glycero-3-phospho(1-rac-glycerol) 1,2-Dioleoyl-sn-glycero-3-phosphoglycerol, (R-(r*,s*))-(Z)-isomer DOPG Di-C18-1(C)-PG 1,2-dioleoyl-rac-glycero-3-phosphoglycerol PG(18:1(9Z)/18:1(9Z)) GPG(36:2) GPG(18:1/18:1) 1,2-di(9Z-octadecenoyl)-rac-glycero-3-phosphoglycerol 1,2-di(9Z-octadecenoyl)-rac-glycero-3-phospho-(1'-glycerol) GPG(18:1N9/18:1N9) GPG(18:1W9/18:1W9) PG(18:1N9/18:1N9) PG(18:1W9/18:1W9) Phosphatidylglycerol(18:1n9/18:1n9) Phosphatidylglycerol(18:1W9/18:1W9) C42H79O10P 775.058 774.541085742 [(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid (2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy((2S)-2,3-dihydroxypropoxy)phosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40+/m0/s1 DSNRWDQKZIEDDB-SQYFZQSCSA-N belongs to the class of organic compounds known as phosphatidylglycerols. These are glycerophosphoglycerols in which two fatty acids are bonded to the 1-glycerol moiety through ester linkages. As is the case with diacylglycerols, phosphatidylglycerols can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. Organic compounds Lipids and lipid-like molecules Glycerophospholipids Glycerophosphoglycerols Phosphatidylglycerols 1,2-diols Carbonyl compounds Carboxylic acid esters Dialkyl phosphates Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Primary alcohols Secondary alcohols 1,2-diacylglycerophosphoglycerol 1,2-diol Alcohol Aliphatic acyclic compound Alkyl phosphate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dialkyl phosphate Dicarboxylic acid or derivatives Fatty acid ester Fatty acyl Hydrocarbon derivative Organic oxide Organic oxygen compound Organic phosphoric acid derivative Organooxygen compound Phosphoric acid ester Primary alcohol Secondary alcohol Aliphatic acyclic compounds 1,2-diacyl-sn-glycero-3-phospho-(1'-sn-glycerol) Diacylglycerophosphoglycerols Solid logp 8.47 ALOGPS logs -6.97 ALOGPS logp 11.99 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propoxy][(2S)-2,3-dihydroxypropoxy]phosphinic acid ChemAxon average_mass 775.058 ChemAxon mono_mass 774.541085742 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C42H79O10P ChemAxon inchi InChI=1S/C42H79O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48)/b19-17-,20-18-/t39-,40+/m0/s1 ChemAxon inchikey DSNRWDQKZIEDDB-SQYFZQSCSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 215.95 ChemAxon polarizability 93.13 ChemAxon rotatable_bond_count 42 ChemAxon acceptor_count 6 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:1(9Z)) SMP0079239 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)) SMP0079240 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079241 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079242 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079243 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079244 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/16:0) SMP0079245 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/16:1(9Z)) SMP0079246 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:0) SMP0079247 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(11Z)) SMP0079248 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:1(9Z)) SMP0079249 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) SMP0079250 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079251 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079252 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079253 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079254 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:0) SMP0079255 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) SMP0079256 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0) SMP0079257 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) SMP0079258 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) SMP0079259 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)) SMP0079260 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079261 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079262 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079263 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079264 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) SMP0079265 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) SMP0079266 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) SMP0079267 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) SMP0079268 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) SMP0079269 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)) SMP0079270 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079271 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079272 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079273 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079274 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) SMP0079275 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) SMP0079276 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0) SMP0079277 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) SMP0079278 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) SMP0079279 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) SMP0079280 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079281 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079282 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079283 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079284 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) SMP0079285 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) SMP0079286 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) SMP0079287 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) SMP0079288 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) SMP0079289 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) SMP0079290 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079291 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079292 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079293 Cardiolipin Biosynthesis CL(18:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079294 Specdb::MsMs 27818 Specdb::MsMs 27819 Specdb::MsMs 27820 Specdb::MsMs 34376 Specdb::MsMs 34377 Specdb::MsMs 34378 Specdb::MsMs 2448674 Specdb::MsMs 2448675 Specdb::MsMs 2448676 Specdb::CMs 784471 Specdb::CMs 784472 Specdb::CMs 784473 Specdb::CMs 784474 Specdb::CMs 784475 Specdb::CMs 784476 All Tissues Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 24768133 52927248 75385 FDB027784