1.0 2016-10-03 18:11:42 UTC 2020-05-11 19:13:30 UTC BMDB0010681 BMDB10681 PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-glycerol) 1-a-Linolenoyl-2-g-linolenoyl-sn-glycero-3-phosphoglycerol 1-alpha-Linolenoyl-2-gamma-linolenoyl-sn-glycero-3-phosphoglycerol GPG(18:3/18:3) GPG(18:3N3/18:3N6) GPG(18:3W3/18:3W6) GPG(36:6) PG(18:3/18:3) PG(18:3N3/18:3N6) PG(18:3W3/18:3W6) PG(36:6) Phosphatidylglycerol(18:3/18:3) Phosphatidylglycerol(18:3n3/18:3n6) Phosphatidylglycerol(18:3W3/18:3W6) Phosphatidylglycerol(36:6) 1-(9Z,12Z,15Z-Octadeatrienoyl)-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoglycerol PG(18:3(9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) C42H71O10P 766.9809 766.478485004 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxyphosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C42H71O10P/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/h5,7,11-14,17-20,24,26,39-40,43-44H,3-4,6,8-10,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1 NRMAAXFTMGOMBX-ZRQQEKEJSA-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 7.32 ALOGPS logs -6.75 ALOGPS logp 10.54 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propoxy]phosphinic acid ChemAxon average_mass 766.9809 ChemAxon mono_mass 766.478485004 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C42H71O10P ChemAxon inchi InChI=1S/C42H71O10P/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/h5,7,11-14,17-20,24,26,39-40,43-44H,3-4,6,8-10,15-16,21-23,25,27-38H2,1-2H3,(H,47,48)/b7-5-,13-11-,14-12-,19-17-,20-18-,26-24-/t39-,40+/m0/s1 ChemAxon inchikey NRMAAXFTMGOMBX-ZRQQEKEJSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 220.41 ChemAxon polarizability 88.05 ChemAxon rotatable_bond_count 38 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 782235 Specdb::CMs 782236 Specdb::CMs 782237 Specdb::CMs 782238 Specdb::CMs 782239 Specdb::CMs 782240 Specdb::MsMs 311851 Specdb::MsMs 311852 Specdb::MsMs 311853 Specdb::MsMs 356947 Specdb::MsMs 356948 Specdb::MsMs 356949 Specdb::MsMs 2928304 Specdb::MsMs 2928305 Specdb::MsMs 2928306 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 24768180 52926674 FDB027831