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CHEBI:230985 - PG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

ChEBI IDCHEBI:230985
ChEBI NamePG(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H79O12P
Net Charge0
Average Mass831.078
Monoisotopic Mass830.53091
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C44H79O12P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-21-27-33-43(49)53-37-42(38-55-57(51,52)54-36-41(48)35-45)56-44(50)34-28-32-40(47)31-26-23-22-25-30-39(46)29-24-20-10-8-6-4-2/h20,22-26,30-31,39-42,45-48H,3-19,21,27-29,32-38H2,1-2H3,(H,51,52)/b23-22+,24-20-,30-25+,31-26-/t39-,40-,41-,42+/m0/s1
InChIKeyQFKIQLSMXPAXIX-WCPJBUIWSA-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(18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:230985) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
Manual XrefsDatabases
117223772ChemSpider
HMDB0268799HMDB