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CHEBI:185468 - PG(22:4(7Z,10Z,13Z,16Z)/22:1(11Z))

ChEBI IDCHEBI:185468
ChEBI NamePG(22:4(7Z,10Z,13Z,16Z)/22:1(11Z))
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)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
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/h11,13,17,19,22-25,29,31,47-48,51-52H,3-10,12,14-16,18,20-21,26-28,30,32-46H2,1-2H3,(H,55,56)/b13-11-,19-17-,24-22-,25-23-,31-29-/t47-,48+/m0/s1
InChIKeyLVFQIYGVYSJVOQ-KBHZQRGZSA-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(22:4(7Z,10Z,13Z,16Z)/22:1(11Z)) (CHEBI:185468) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04010814LIPID MAPS
113377508ChemSpider