1.0 2016-10-03 18:11:21 UTC 2020-05-11 19:13:16 UTC BMDB0010664 BMDB10664 PG(18:3(6Z,9Z,12Z)/18:1(9Z)) 1-g-linolenoyl-2-oleoyl-sn-glycero-3-phosphoglycerol Phosphatidylglycerol(18:3/18:1) PG(18:3/18:1) Phosphatidylglycerol(36:4) PG(36:4) GPG(18:3/18:1) PG(18:3(6Z,9Z,12Z)/18:1(9Z)) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-glycerol) 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoglycerol GPG(36:4) 1-gamma-Linolenoyl-2-oleoyl-sn-glycero-3-phosphoglycerol GPG(18:3N6/18:1N9) GPG(18:3W6/18:1W9) PG(18:3N6/18:1N9) PG(18:3W6/18:1W9) Phosphatidylglycerol(18:3n6/18:1n9) Phosphatidylglycerol(18:3W6/18:1W9) C42H75O10P 771.0127 770.509785132 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-2-[(9Z)-octadec-9-enoyloxy]-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)CCCCCCC\C=C/CCCCCCCC InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39-40,43-44H,3-10,12,14-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,20-18-,25-23-/t39-,40+/m0/s1 ABTXGGZXXIHNDW-QLADQEJGSA-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 7.95 ALOGPS logs -6.93 ALOGPS logp 11.27 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(9Z)-octadec-9-enoyloxy]-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid ChemAxon average_mass 771.0127 ChemAxon mono_mass 770.509785132 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)CCCCCCC\C=C/CCCCCCCC ChemAxon formula C42H75O10P ChemAxon inchi InChI=1S/C42H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,23,25,39-40,43-44H,3-10,12,14-16,21-22,24,26-38H2,1-2H3,(H,47,48)/b13-11-,19-17-,20-18-,25-23-/t39-,40+/m0/s1 ChemAxon inchikey ABTXGGZXXIHNDW-QLADQEJGSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 218.18 ChemAxon polarizability 90.72 ChemAxon rotatable_bond_count 40 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::MsMs 311797 Specdb::MsMs 311798 Specdb::MsMs 311799 Specdb::MsMs 356887 Specdb::MsMs 356888 Specdb::MsMs 356889 Specdb::MsMs 2311301 Specdb::MsMs 2311302 Specdb::MsMs 2311303 Specdb::CMs 783309 Specdb::CMs 783310 Specdb::CMs 783311 Specdb::CMs 783312 Specdb::CMs 783313 Specdb::CMs 783314 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 52926643 24768163 89331 FDB027814