1.0 2016-10-03 18:09:41 UTC 2020-05-11 19:12:07 UTC BMDB0010581 BMDB10581 PG(16:0/22:4(7Z,10Z,13Z,16Z)) PG(38:4) Phosphatidylglycerol(38:4) 1-palmitoyl-2-adrenoyl-sn-glycero-3-phosphoglycerol GPG(38:4) 1-hexadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phospho-(1'-glycerol) Phosphatidylglycerol(16:0/22:4) PG(16:0/22:4(7Z,10Z,13Z,16Z)) GPG(16:0/22:4) 1-hexadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoglycerol PG(16:0/22:4) GPG(16:0/22:4N6) GPG(16:0/22:4W6) PG(16:0/22:4N6) PG(16:0/22:4W6) Phosphatidylglycerol(16:0/22:4n6) Phosphatidylglycerol(16:0/22:4W6) C44H79O10P 799.0658 798.54108526 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(hexadecanoyloxy)propoxyphosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1 OJGRJXYPAAIUAW-YGUNRICGSA-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 8.41 ALOGPS logs -7.01 ALOGPS logp 12.16 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(hexadecanoyloxy)propoxy]phosphinic acid ChemAxon average_mass 799.0658 ChemAxon mono_mass 798.54108526 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C44H79O10P ChemAxon inchi InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,24,26,41-42,45-46H,3-10,12,14-16,19,22-23,25,27-40H2,1-2H3,(H,49,50)/b13-11-,18-17-,21-20-,26-24-/t41-,42+/m0/s1 ChemAxon inchikey OJGRJXYPAAIUAW-YGUNRICGSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 227.38 ChemAxon polarizability 95.08 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 Specdb::CMs 787657 Specdb::CMs 787658 Specdb::CMs 787659 Specdb::MsMs 323188 Specdb::MsMs 323189 Specdb::MsMs 323190 Specdb::MsMs 371287 Specdb::MsMs 371288 Specdb::MsMs 371289 Specdb::MsMs 2329008 Specdb::MsMs 2329009 Specdb::MsMs 2329010 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 24768080 52927231 89091 FDB027731