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CHEBI:169778 - PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:169778
ChEBI NamePG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H73O10P
Net Charge0
Average Mass781.021
Monoisotopic Mass780.49414
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C43H73O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-43(47)53-41(39-52-54(48,49)51-37-40(45)36-44)38-50-42(46)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,23,25,29,31,40-41,44-45H,3-4,6,8-10,12,14-16,19,22,24,26-28,30,32-39H2,1-2H3,(H,48,49)/b7-5-,13-11-,18-17-,21-20-,25-23-,31-29-/t40-,41+/m0/s1
InChIKeyCTRNSVCYDUIICT-FFLBNGNKSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:169778) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGP04010160LIPID MAPS