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CHEBI:186401 - PG(17:1(9Z)/18:1(9Z))

ChEBI IDCHEBI:186401
ChEBI NamePG(17:1(9Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H77O10P
Net Charge0
Average Mass761.031
Monoisotopic Mass760.52544
SMILESCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C41H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)51-39(37-50-52(46,47)49-35-38(43)34-42)36-48-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h16-19,38-39,42-43H,3-15,20-37H2,1-2H3,(H,46,47)/b18-16-,19-17-/t38-,39+/m0/s1
InChIKeyXSAFRXKUAFDXEW-JVFMAPSFSA-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(17:1(9Z)/18:1(9Z)) (CHEBI:186401) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-heptadec-9-enoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP04010259LIPID MAPS
113376999ChemSpider