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CHEBI:186224 - PG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:186224
ChEBI NamePG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H81O10P
Net Charge0
Average Mass849.140
Monoisotopic Mass848.55674
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C48H81O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-20,26,28,32,34,45-46,49-50H,3-5,7,9-10,15-16,21-25,27,29-31,33,35-44H2,1-2H3,(H,53,54)/b8-6-,13-11-,14-12-,19-17-,20-18-,28-26-,34-32-/t45-,46+/m0/s1
InChIKeyFTIVPPLXBZECHX-XQFNNNDESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:186224) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
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