1.0 2016-10-03 18:10:40 UTC 2020-05-21 16:28:10 UTC BMDB0010630 BMDB10630 PG(18:1(9Z)/16:0) 1-Oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 18:1/16:0 PG 2-Hexadecanoyl-1-[(9Z)-octadec-9-enoyl]-sn-glycero-3-phospho-(1'-sn-glycerol) C18:1/16:0 PG GPG(18:1/16:0) GPG(18:1OMEGA9/16:0) GPG(34:1) PG(18:1/16:0) PG(18:1OMEGA9/16:0) PG(34:1) Phosphatidylglycerol(18:1/16:0) Phosphatidylglycerol(18:1omega9/16:0) Phosphatidylglycerol(34:1) 1-(9Z-Octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-glycerol) 1-Oleoyl-2-palmitoyl-sn-glycero-3-phosphoglycerol GPG(18:1N9/16:0) GPG(18:1W9/16:0) PG(18:1N9/16:0) PG(18:1W9/16:0) Phosphatidylglycerol(18:1n9/16:0) Phosphatidylglycerol(18:1W9/16:0) 1-(9Z-Octadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphoglycerol 1-Oleoyl-2-palmitoyl-GPG 1-Oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1'-glycerol) 1-Oleoyl-2-palmitoyl-sn-glycero-3-phospho-(1’-glycerol) GPG(18:1(9Z)/16:0) Phosphatidylglycerol(18:1(9Z)/16:0) PG(18:1(9Z)/16:0) C40H77O10P 749.0071 748.525435196 [(2S)-2,3-dihydroxypropoxy][(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy((2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy)phosphinic acid 1574356-02-7 [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC 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/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1 GTCKEWVHTGGUSN-HGWHEPCSSA-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 8.17 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-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]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)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC 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/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1 ChemAxon inchikey GTCKEWVHTGGUSN-HGWHEPCSSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 205.63 ChemAxon polarizability 91.38 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(18:1(9Z)/16:0/18:1(9Z)/16:0) SMP0079089 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/16:1(9Z)) SMP0079090 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/18:0) SMP0079091 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/18:1(11Z)) SMP0079092 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/18:1(9Z)) SMP0079093 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/18:2(9Z,12Z)) SMP0079094 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079095 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079096 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079097 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079098 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:2(9Z,12Z)/16:0) SMP0079099 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:1(11Z)) SMP0079100 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:1(9Z)) SMP0079101 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/18:2(9Z,12Z)/18:2(9Z,12Z)) SMP0079102 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/16:0) SMP0079103 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(11Z)) SMP0079104 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) SMP0079105 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) SMP0079106 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/16:0) SMP0079107 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(11Z)) SMP0079108 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/18:1(9Z)) SMP0079109 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079110 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079111 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/16:0) SMP0079112 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) SMP0079113 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) SMP0079114 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0079115 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0079116 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) SMP0079117 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) SMP0079118 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) SMP0079119 Cardiolipin Biosynthesis CL(18:1(9Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0079120 Specdb::CMs 777460 Specdb::CMs 777461 Specdb::CMs 777462 Specdb::CMs 777463 Specdb::CMs 777464 Specdb::CMs 777465 Specdb::CMs 777466 Specdb::CMs 777467 Specdb::CMs 777468 Specdb::MsMs 24062 Specdb::MsMs 24063 Specdb::MsMs 24064 Specdb::MsMs 30860 Specdb::MsMs 30861 Specdb::MsMs 30862 Specdb::MsMs 2772281 Specdb::MsMs 2772282 Specdb::MsMs 2772283 Specdb::NmrOneD 314081 Specdb::NmrOneD 314082 Specdb::NmrOneD 314083 Specdb::NmrOneD 314084 Specdb::NmrOneD 314085 Specdb::NmrOneD 314086 Specdb::NmrOneD 314087 Specdb::NmrOneD 314088 Specdb::NmrOneD 314089 Specdb::NmrOneD 314090 Specdb::NmrOneD 314091 Specdb::NmrOneD 314092 Specdb::NmrOneD 314093 Specdb::NmrOneD 314094 Specdb::NmrOneD 314095 Specdb::NmrOneD 314096 Specdb::NmrOneD 314097 Specdb::NmrOneD 314098 Specdb::NmrOneD 314099 Specdb::NmrOneD 314100 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 24768129 52927225 FDB027780 73206 CPD-2183 BMDBP02836 Protein tyrosine phosphatase mitochondrial 1 Q2NKZ7 PTPMT1 Enzyme