1.0 2016-10-03 18:10:33 UTC 2020-05-11 19:12:43 UTC BMDB0010624 BMDB10624 PG(18:1(11Z)/20:3(8Z,11Z,14Z)) 1-(11Z-Octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-(1'-glycerol) 1-Vaccenoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphoglycerol 1-Vaccenoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphoglycerol GPG(18:1/20:3) GPG(18:1N7/20:3N6) GPG(18:1W7/20:3W6) GPG(38:4) PG(18:1/20:3) PG(18:1N7/20:3N6) PG(18:1W7/20:3W6) PG(38:4) Phosphatidylglycerol(18:1/20:3) Phosphatidylglycerol(18:1n7/20:3n6) Phosphatidylglycerol(18:1W7/20:3W6) Phosphatidylglycerol(38:4) 1-(11Z-Octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphoglycerol PG(18:1(11Z)/20:3(8Z,11Z,14Z)) C44H79O10P 799.0658 798.54108526 [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxy]phosphinic acid (2S)-2,3-dihydroxypropoxy(2R)-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]propoxyphosphinic acid [H][C@](O)(CO)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45-46H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1 SXQSRHPWOYLKTL-ZYJQSYMOSA-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 Solid logp 8.36 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-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]-3-[(11Z)-octadec-11-enoyloxy]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)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC ChemAxon formula C44H79O10P ChemAxon inchi InChI=1S/C44H79O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13-14,16-17,19,22,24,41-42,45-46H,3-10,12,15,18,20-21,23,25-40H2,1-2H3,(H,49,50)/b13-11-,16-14-,19-17-,24-22-/t41-,42+/m0/s1 ChemAxon inchikey SXQSRHPWOYLKTL-ZYJQSYMOSA-N ChemAxon polar_surface_area 148.82 ChemAxon refractivity 227.38 ChemAxon polarizability 96.01 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::MsMs 300592 Specdb::MsMs 300593 Specdb::MsMs 300594 Specdb::MsMs 342901 Specdb::MsMs 342902 Specdb::MsMs 342903 Specdb::MsMs 3106283 Specdb::MsMs 3106284 Specdb::MsMs 3106285 Specdb::CMs 787666 Specdb::CMs 787667 Specdb::CMs 787668 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 24768123 89392 53480623 FDB027774