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CHEBI:186225 - PGP(i-12:0/i-12:0)

ChEBI IDCHEBI:186225
ChEBI NamePGP(i-12:0/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H60O13P2
Net Charge0
Average Mass690.745
Monoisotopic Mass690.35092
SMILESCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C30H60O13P2/c1-25(2)17-13-9-5-7-11-15-19-29(32)39-23-28(43-30(33)20-16-12-8-6-10-14-18-26(3)4)24-42-45(37,38)41-22-27(31)21-40-44(34,35)36/h25-28,31H,5-24H2,1-4H3,(H,37,38)(H2,34,35,36)/t27-,28+/m0/s1
InChIKeyOUSBWZTXQPOWTO-WUFINQPMSA-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)
PGP(i-12:0/i-12:0) (CHEBI:186225) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] 10-methylundecanoate
Manual XrefsDatabases
74878248ChemSpider
HMDB0116536HMDB