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CHEBI:186352 - PG(22:1(11Z)/17:0)

ChEBI IDCHEBI:186352
ChEBI NamePG(22:1(11Z)/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H87O10P
Net Charge0
Average Mass819.155
Monoisotopic Mass818.60369
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C45H87O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-44(48)52-40-43(41-54-56(50,51)53-39-42(47)38-46)55-45(49)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h20-21,42-43,46-47H,3-19,22-41H2,1-2H3,(H,50,51)/b21-20-/t42-,43+/m0/s1
InChIKeyPFQGRRSCOGKYOG-VHQGHFKLSA-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(22:1(11Z)/17:0) (CHEBI:186352) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-heptadecanoyloxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
113377427ChemSpider
LMGP04010733LIPID MAPS