1.0 2016-10-03 18:10:05 UTC 2020-05-21 16:28:09 UTC BMDB0010601 BMDB10601 PG(18:0/16:1(9Z)) PG(18:0/16:1(9Z)), also known as GPG(18:0/16:1) or GPG(34:1), 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. Thus, PG(18:0/16:1(9Z)) is considered to be a glycerophosphoglycerol lipid molecule. PG(18:0/16:1(9Z)) is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. PG(18:0/16:1(9Z)) participates in a number of enzymatic reactions, within cattle. In particular, PG(18:0/16:1(9Z)) can be biosynthesized from PGP(18:0/16:1(9Z)) through its interaction with the enzyme phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1. In addition, PG(18:0/16:1(9Z)) and CDP-DG(18:0/16:1(9Z)) can be converted into CL(18:0/16:1(9Z)/18:0/16:1(9Z)) and cytidine monophosphate through its interaction with the enzyme cardiolipin synthase. In cattle, PG(18:0/16:1(9Z)) is involved in the metabolic pathway called cardiolipin biosynthesis CL(18:0/16:1(9Z)/18:0/16:1(9Z)) pathway. GPG(34:1) PG(34:1) Phosphatidylglycerol(18:0/16:1) Phosphatidylglycerol(34:1) PG(18:0/16:1(9Z)) 1-stearoyl-2-palmitoleoyl-sn-glycero-3-phosphoglycerol 1-octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phospho-(1'-glycerol) PG(18:0/16:1) 1-octadecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphoglycerol GPG(18:0/16:1) GPG(18:0/16:1N7) GPG(18:0/16:1W7) PG(18:0/16:1N7) PG(18:0/16:1W7) Phosphatidylglycerol(18:0/16:1n7) Phosphatidylglycerol(18:0/16:1W7) C40H77O10P 749.0071 748.525435196 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy((2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38+/m0/s1 IPJKIWYVQGPZEW-QCMQKWBUSA-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 Diacylglycerophosphoglycerols Solid logp 8.17 ALOGPS logs -6.86 ALOGPS logp 11.46 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 749.0071 ChemAxon mono_mass 748.525435196 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC ChemAxon formula C40H77O10P ChemAxon inchi InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16,37-38,41-42H,3-13,15,17-36H2,1-2H3,(H,45,46)/b16-14-/t37-,38+/m0/s1 ChemAxon inchikey IPJKIWYVQGPZEW-QCMQKWBUSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 205.63 ChemAxon polarizability 90.3 ChemAxon rotatable_bond_count 41 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(18:0/16:1(9Z)/16:1(9Z)/16:0) SMP0078165 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/16:1(9Z)) SMP0078166 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/18:0) SMP0078167 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/18:1(11Z)) SMP0078168 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/18:1(9Z)) SMP0078169 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/18:2(9Z,12Z)) SMP0078170 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0078171 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078172 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078173 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078174 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/16:1(9Z)) SMP0078175 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/18:1(11Z)) SMP0078176 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/18:1(9Z)) SMP0078177 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/18:2(9Z,12Z)) SMP0078178 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/20:4(5Z,8Z,11Z,14Z)) SMP0078179 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078180 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078181 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078182 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(11Z)/16:1(9Z)) SMP0078183 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(11Z)/18:0) SMP0078184 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(11Z)/18:1(11Z)) SMP0078185 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(11Z)/18:1(9Z)) SMP0078186 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(9Z)/16:1(9Z)) SMP0078187 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(9Z)/18:0) SMP0078188 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(9Z)/18:1(11Z)) SMP0078189 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:1(9Z)/18:1(9Z)) SMP0078190 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:2(9Z,12Z)/16:1(9Z)) SMP0078191 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:2(9Z,12Z)/18:0) SMP0078192 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) SMP0078193 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) SMP0078194 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/18:0) SMP0078195 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) SMP0078196 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/16:1(9Z)) SMP0078197 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) SMP0078198 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078199 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078200 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) SMP0078201 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0) SMP0078202 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078203 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078204 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) SMP0078205 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) SMP0078206 Cardiolipin Biosynthesis CL(18:0/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078207 Specdb::CMs 777442 Specdb::CMs 777443 Specdb::CMs 777444 Specdb::CMs 777445 Specdb::CMs 777446 Specdb::CMs 777447 Specdb::CMs 777448 Specdb::CMs 777449 Specdb::CMs 777450 Specdb::MsMs 301966 Specdb::MsMs 301967 Specdb::MsMs 301968 Specdb::MsMs 344584 Specdb::MsMs 344585 Specdb::MsMs 344586 Specdb::MsMs 2637184 Specdb::MsMs 2637185 Specdb::MsMs 2637186 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 24768100 FDB027751 89270 52927152 BMDBP02836 Protein tyrosine phosphatase mitochondrial 1 Q2NKZ7 PTPMT1 Enzyme