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CHEBI:185898 - PG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185898
ChEBI NamePG(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H83O10P
Net Charge0
Average Mass875.178
Monoisotopic Mass874.57239
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C50H83O10P/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/h6,8,11-14,17-20,24,26,30,32,36,38,47-48,51-52H,3-5,7,9-10,15-16,21-23,25,27-29,31,33-35,37,39-46H2,1-2H3,(H,55,56)/b8-6-,13-11-,14-12-,19-17-,20-18-,26-24-,32-30-,38-36-/t47-,48+/m0/s1
InChIKeyKYOOAKGVODNWCS-QMFGGIPMSA-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)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:185898) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
113377480ChemSpider
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