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CHEBI:187229 - PGP(a-13:0/i-13:0)

ChEBI IDCHEBI:187229
ChEBI NamePGP(a-13:0/i-13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H64O13P2
Net Charge0
Average Mass718.799
Monoisotopic Mass718.38222
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCCC(C)C
InChIInChI=1S/C32H64O13P2/c1-5-28(4)20-16-12-9-10-13-17-21-31(34)41-25-30(26-44-47(39,40)43-24-29(33)23-42-46(36,37)38)45-32(35)22-18-14-8-6-7-11-15-19-27(2)3/h27-30,33H,5-26H2,1-4H3,(H,39,40)(H2,36,37,38)/t28?,29-,30+/m0/s1
InChIKeyKMXCOCDRVIPWFQ-YHCMTOLSSA-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(a-13:0/i-13:0) (CHEBI:187229) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-(11-methyldodecanoyloxy)propyl] 10-methyldodecanoate
Manual XrefsDatabases
HMDB0116519HMDB
74878231ChemSpider