Identification Common Name PGP(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) Class Small Molecule Description Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source PGP(16:1/20:4) Lipid Annotator, HMDB 1-palmitoleoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) Lipid Annotator, HMDB PGP(36:5) Lipid Annotator, HMDB PGP(16:1(9Z)/20:4(5Z,8Z,11Z,14Z)) Lipid Annotator 1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) Lipid Annotator, HMDB 3-sn-phosphatidyl-1'-sn-glycerol 3'-phosphoric acid Lipid Annotator, HMDB PGP(16:1n7/20:4n6) HMDB PGP(16:1W7/20:4W6) HMDB
Chemical Formula C42 H74 O13 P2 Average Molecular Mass 848.977 g/mol Monoisotopic Mass 848.460 g/mol CAS Registry Number Not Available IUPAC Name [(2S)-3-({[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid Traditional Name (2S)-3-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxyphosphonic acid SMILES CCCCCC\C=C/CCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OC[C@@]([H])(O)COP(=O)(O)O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC InChI Identifier InChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-34-42(45)55-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)37-51-41(44)33-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,26,28,39-40,43H,3-10,12,15,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,18-17-,22-20-,28-26-/t39-,40+/m0/s1 InChI Key NTQLGVPKRSFHIQ-JHDARNQCSA-N 
