1.0 2016-10-03 18:09:35 UTC 2020-05-11 19:12:03 UTC BMDB0010576 BMDB10576 PG(16:0/18:3(6Z,9Z,12Z)) 1-Hexadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-glycerol) 1-Palmitoyl-2-g-linolenoyl-sn-glycero-3-phosphoglycerol 1-Palmitoyl-2-gamma-linolenoyl-sn-glycero-3-phosphoglycerol GPG(16:0/18:3) GPG(16:0/18:3N6) GPG(16:0/18:3W6) GPG(34:3) PG(16:0/18:3) PG(16:0/18:3N6) PG(16:0/18:3W6) PG(34:3) Phosphatidylglycerol(16:0/18:3) Phosphatidylglycerol(16:0/18:3n6) Phosphatidylglycerol(16:0/18:3W6) Phosphatidylglycerol(34:3) 1-Hexadecanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphoglycerol PG(16:0/18:3(6Z,9Z,12Z)) C40H73O10P 744.9754 744.494135068 [(2S)-2,3-dihydroxypropoxy][(2R)-3-(hexadecanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-3-(hexadecanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxyphosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41-42H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1 MVHBCRUZHMRQHX-UIWSMAGISA-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 7.77 ALOGPS logs -6.82 ALOGPS logp 10.74 ChemAxon pka_strongest_acidic 1.89 ChemAxon pka_strongest_basic -3 ChemAxon iupac [(2S)-2,3-dihydroxypropoxy][(2R)-3-(hexadecanoyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propoxy]phosphinic acid ChemAxon average_mass 744.9754 ChemAxon mono_mass 744.494135068 ChemAxon smiles [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C40H73O10P ChemAxon inchi InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,37-38,41-42H,3-10,12,14-16,19-21,23,25-36H2,1-2H3,(H,45,46)/b13-11-,18-17-,24-22-/t37-,38+/m0/s1 ChemAxon inchikey MVHBCRUZHMRQHX-UIWSMAGISA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 207.86 ChemAxon polarizability 87.91 ChemAxon rotatable_bond_count 39 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 297994 Specdb::MsMs 297995 Specdb::MsMs 297996 Specdb::MsMs 339664 Specdb::MsMs 339665 Specdb::MsMs 339666 Specdb::MsMs 2422422 Specdb::MsMs 2422423 Specdb::MsMs 2422424 Specdb::CMs 773213 Specdb::CMs 773214 Specdb::CMs 773215 Specdb::CMs 773216 Specdb::CMs 773217 Specdb::CMs 773218 Specdb::CMs 773219 Specdb::CMs 773220 Specdb::CMs 773221 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 24768075 52927171 FDB027726