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CHEBI:187806 - PG(21:0/22:1(11Z))

ChEBI IDCHEBI:187806
ChEBI NamePG(21:0/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H95O10P
Net Charge0
Average Mass875.263
Monoisotopic Mass874.66629
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C49H95O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)59-47(45-58-60(54,55)57-43-46(51)42-50)44-56-48(52)40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h21,23,46-47,50-51H,3-20,22,24-45H2,1-2H3,(H,54,55)/b23-21-/t46-,47+/m0/s1
InChIKeyRDFIGWSPHSBSEH-HYNBYXBDSA-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(21:0/22:1(11Z)) (CHEBI:187806) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-henicosanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
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