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CHEBI:230992 - PG(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20))

ChEBI IDCHEBI:230992
ChEBI NamePG(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H87O11P
Net Charge0
Average Mass871.187
Monoisotopic Mass870.59860
SMILESCC(C)CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO
InChIInChI=1S/C48H87O11P/c1-44(2)36-32-28-24-20-16-12-8-5-6-9-13-17-21-25-29-33-37-47(52)56-42-46(43-58-60(54,55)57-41-45(51)40-50)59-48(53)38-34-30-26-22-18-14-10-4-3-7-11-15-19-23-27-31-35-39-49/h3,7,10,14-15,19,22,26,44-46,49-51H,4-6,8-9,11-13,16-18,20-21,23-25,27-43H2,1-2H3,(H,54,55)/b7-3-,14-10-,19-15-,26-22-/t45-,46+/m0/s1
InChIKeySCZRIIMYONNIBV-JARGIWPGSA-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(i-22:0/20:4(5Z,8Z,11Z,14Z)-OH(20)) (CHEBI:230992) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoyl]oxypropyl] 20-methylhenicosanoate
Manual XrefsDatabases
117226419ChemSpider
HMDB0272091HMDB