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CHEBI:186786 - PG(22:2(13Z,16Z)/21:0)

ChEBI IDCHEBI:186786
ChEBI NamePG(22:2(13Z,16Z)/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H93O10P
Net Charge0
Average Mass873.247
Monoisotopic Mass872.65064
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C49H93O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-48(52)56-44-47(45-58-60(54,55)57-43-46(51)42-50)59-49(53)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,46-47,50-51H,3-10,12,14-16,18,20-45H2,1-2H3,(H,54,55)/b13-11-,19-17-/t46-,47+/m0/s1
InChIKeyGCUWLPKMTAECGB-HVVBRKFQSA-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)/21:0) (CHEBI:186786) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-henicosanoyloxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
LMGP04010781LIPID MAPS
113377475ChemSpider