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CHEBI:186548 - PG(20:0/22:1(11Z))

ChEBI IDCHEBI:186548
ChEBI NamePG(20:0/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H93O10P
Net Charge0
Average Mass861.236
Monoisotopic Mass860.65064
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C48H93O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-48(52)58-46(44-57-59(53,54)56-42-45(50)41-49)43-55-47(51)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h21-22,45-46,49-50H,3-20,23-44H2,1-2H3,(H,53,54)/b22-21-/t45-,46+/m0/s1
InChIKeyDLQWHKKIBUCCLF-BSXVWLSVSA-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(20:0/22:1(11Z)) (CHEBI:186548) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosanoyloxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04010525LIPID MAPS
113377230ChemSpider