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CHEBI:187478 - PG(17:1(9Z)/17:2(9Z,12Z))

ChEBI IDCHEBI:187478
ChEBI NamePG(17:1(9Z)/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H73O10P
Net Charge0
Average Mass744.988
Monoisotopic Mass744.49414
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h10,12,15-18,37-38,41-42H,3-9,11,13-14,19-36H2,1-2H3,(H,45,46)/b12-10-,17-15-,18-16-/t37-,38+/m0/s1
InChIKeyJRYQGDXDSGZUJK-SWQTZBCUSA-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)/17:2(9Z,12Z)) (CHEBI:187478) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropyl] (Z)-heptadec-9-enoate
Manual XrefsDatabases
113376997ChemSpider
LMGP04010257LIPID MAPS