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CHEBI:231028 - PG(20:3(6,8,11)-OH(5)/i-22:0)

ChEBI IDCHEBI:231028
ChEBI NamePG(20:3(6,8,11)-OH(5)/i-22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H89O11P
Net Charge0
Average Mass873.203
Monoisotopic Mass872.61425
SMILESCCCCCCCC/C=C/C/C=C/C=C/C(O)CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C48H89O11P/c1-4-5-6-7-8-9-10-15-19-22-25-28-31-35-44(50)36-33-38-47(52)56-41-46(42-58-60(54,55)57-40-45(51)39-49)59-48(53)37-32-29-26-23-20-17-14-12-11-13-16-18-21-24-27-30-34-43(2)3/h15,19,25,28,31,35,43-46,49-51H,4-14,16-18,20-24,26-27,29-30,32-34,36-42H2,1-3H3,(H,54,55)/b19-15+,28-25+,35-31+/t44?,45-,46+/m0/s1
InChIKeyXLNMPEMEDCUPNA-VDNNJBHTSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(20:3(6,8,11)-OH(5)/i-22:0) (CHEBI:231028) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6E,8E,11E)-5-hydroxyicosa-6,8,11-trienoyl]oxypropan-2-yl] 20-methylhenicosanoate
Manual XrefsDatabases
HMDB0272186HMDB
117226496ChemSpider