1.0 2016-10-03 18:11:30 UTC 2020-05-11 19:13:22 UTC BMDB0010671 BMDB10671 PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phospho-(1'-glycerol) 1-g-Linolenoyl-2-adrenoyl-sn-glycero-3-phosphoglycerol 1-gamma-Linolenoyl-2-adrenoyl-sn-glycero-3-phosphoglycerol GPG(18:3/22:4) GPG(18:3N6/22:4N6) GPG(18:3W6/22:4W6) GPG(40:7) PG(18:3/22:4) PG(18:3N6/22:4N6) PG(18:3W6/22:4W6) PG(40:7) Phosphatidylglycerol(18:3/22:4) Phosphatidylglycerol(18:3n6/22:4n6) Phosphatidylglycerol(18:3W6/22:4W6) Phosphatidylglycerol(40:7) 1-(6Z,9Z,12Z-Octadecatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphoglycerol PG(18:3(6Z,9Z,12Z)/22:4(7Z,10Z,13Z,16Z)) C46H77O10P 821.0713 820.525435196 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C46H77O10P/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/h11-14,17-19,21-23,26-29,43-44,47-48H,3-10,15-16,20,24-25,30-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1 FCDCKTDFYQEOAD-YQPREKOFSA-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 7.98 ALOGPS logs -6.90 ALOGPS logp 11.96 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-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid ChemAxon average_mass 821.0713 ChemAxon mono_mass 820.525435196 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C46H77O10P ChemAxon inchi InChI=1S/C46H77O10P/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/h11-14,17-19,21-23,26-29,43-44,47-48H,3-10,15-16,20,24-25,30-42H2,1-2H3,(H,51,52)/b13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-/t43-,44+/m0/s1 ChemAxon inchikey FCDCKTDFYQEOAD-YQPREKOFSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 239.93 ChemAxon polarizability 95.02 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 Specdb::CMs 791217 Specdb::CMs 791218 Specdb::CMs 791219 Specdb::MsMs 320299 Specdb::MsMs 320300 Specdb::MsMs 320301 Specdb::MsMs 367645 Specdb::MsMs 367646 Specdb::MsMs 367647 Specdb::MsMs 3098134 Specdb::MsMs 3098135 Specdb::MsMs 3098136 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 24768170 52926660 89340 FDB027821