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CHEBI:186268 - PG(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:186268
ChEBI NamePG(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H89O10P
Net Charge0
Average Mass881.226
Monoisotopic Mass880.61934
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C50H89O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23-24,26,30,32,47-48,51-52H,3-11,13,15-17,19,22,25,27-29,31,33-46H2,1-2H3,(H,55,56)/b14-12-,20-18-,23-21-,26-24-,32-30-/t47-,48+/m0/s1
InChIKeyVJIDRCQUYVLMKD-RPSRHSCVSA-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)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:186268) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04010754LIPID MAPS
113377448ChemSpider