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CHEBI:190801 - PGP(a-13:0/a-15:0)

ChEBI IDCHEBI:190801
ChEBI NamePGP(a-13:0/a-15:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H68O13P2
Net Charge0
Average Mass746.853
Monoisotopic Mass746.41352
SMILESCCC(C)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)CC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C34H68O13P2/c1-5-29(3)21-17-13-9-7-8-10-16-20-24-34(37)47-32(28-46-49(41,42)45-26-31(35)25-44-48(38,39)40)27-43-33(36)23-19-15-12-11-14-18-22-30(4)6-2/h29-32,35H,5-28H2,1-4H3,(H,41,42)(H2,38,39,40)/t29?,30?,31-,32+/m0/s1
InChIKeyFXOXMDSPVMXWJV-VJUQQTGUSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
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/a-15:0) (CHEBI:190801) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 12-methyltetradecanoate
Manual XrefsDatabases
74878226ChemSpider
HMDB0116514HMDB