Identification Common Name PGP(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Class Small Molecule Description Contaminant Sources Contaminant Type Not Available Chemical Structure Synonyms Value Source PGP(16:1/22:5) Lipid Annotator, HMDB PGP(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z)) Lipid Annotator 1-palmitoleoyl-2-docosapentaenoyl-sn-glycero-3-phospho-(1'-sn-glycerol-3'-phosphate) Lipid Annotator, HMDB PGP(38:6) Lipid Annotator, HMDB 1-(9Z-hexadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-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(16:1n7/22:5n3) HMDB PGP(16:1W7/22:5W3) HMDB
Chemical Formula C44 H76 O13 P2 Average Molecular Mass 875.014 g/mol Monoisotopic Mass 874.476 g/mol CAS Registry Number Not Available IUPAC Name [(2S)-3-({[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphonic acid Traditional Name (2S)-3-{[(2R)-2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]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)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC InChI Identifier InChI=1S/C44H76O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-44(47)57-42(40-56-59(51,52)55-38-41(45)37-54-58(48,49)50)39-53-43(46)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13-14,16-18,20-21,24,26,41-42,45H,3-4,6,8-10,12,15,19,22-23,25,27-40H2,1-2H3,(H,51,52)(H2,48,49,50)/b7-5-,13-11-,16-14-,18-17-,21-20-,26-24-/t41-,42+/m0/s1 InChI Key LLBGUTSRDUHNBR-CJUAJECJSA-N 
