1.0 2016-10-03 18:10:20 UTC 2020-05-21 16:28:09 UTC BMDB0010614 BMDB10614 PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phospho-(1'-glycerol) 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphoglycerol GPG(18:0/22:6) GPG(18:0/22:6N3) GPG(18:0/22:6W3) GPG(40:6) PG(18:0/22:6) PG(18:0/22:6N3) PG(18:0/22:6W3) PG(40:6) Phosphatidylglycerol(18:0/22:6) Phosphatidylglycerol(18:0/22:6n3) Phosphatidylglycerol(18:0/22:6W3) Phosphatidylglycerol(40:6) 1-Octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphoglycerol PG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) C46H79O10P 823.0872 822.54108526 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxyphosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1 CLQKBJHAUYGCOB-JBZBJAAJSA-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 8.47 ALOGPS logs -7.02 ALOGPS logp 12.32 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 823.0872 ChemAxon mono_mass 822.54108526 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC ChemAxon formula C46H79O10P ChemAxon inchi InChI=1S/C46H79O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,26,28,32,34,43-44,47-48H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-42H2,1-2H3,(H,51,52)/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t43-,44+/m0/s1 ChemAxon inchikey CLQKBJHAUYGCOB-JBZBJAAJSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 238.82 ChemAxon polarizability 96.35 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(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/16:1(9Z)) SMP0078578 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/18:0) SMP0078579 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078580 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078581 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:0) SMP0078582 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(11Z)) SMP0078583 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/18:1(9Z)) SMP0078584 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078585 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:0) SMP0078586 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(11Z)) SMP0078587 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/18:1(9Z)) SMP0078588 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078589 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:0) SMP0078590 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) SMP0078591 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078592 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/18:0) SMP0078593 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) SMP0078594 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078595 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:0) SMP0078596 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078597 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078598 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078599 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/18:0) SMP0078600 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078601 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078602 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078603 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) SMP0078604 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z)) SMP0078605 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) SMP0078606 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(11Z)) SMP0078607 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) SMP0078608 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)) SMP0078609 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(5Z,8Z,11Z,14Z)) SMP0078610 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) SMP0078611 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(7Z,10Z,13Z,16Z,19Z)) SMP0078612 Cardiolipin Biosynthesis CL(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) SMP0078613 Specdb::CMs 791360 Specdb::CMs 791361 Specdb::CMs 791362 Specdb::MsMs 297097 Specdb::MsMs 297098 Specdb::MsMs 297099 Specdb::MsMs 338530 Specdb::MsMs 338531 Specdb::MsMs 338532 Specdb::MsMs 3056486 Specdb::MsMs 3056487 Specdb::MsMs 3056488 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 24768113 24779554 89279 FDB027764 BMDBP02836 Protein tyrosine phosphatase mitochondrial 1 Q2NKZ7 PTPMT1 Enzyme