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CHEBI:230785 - PGP(i-12:0/a-21:0)

ChEBI IDCHEBI:230785
ChEBI NamePGP(i-12:0/a-21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H78O13P2
Net Charge0
Average Mass816.988
Monoisotopic Mass816.49177
SMILESCCC(C)CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC(C)C)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C39H78O13P2/c1-5-35(4)27-23-19-14-12-10-8-6-7-9-11-13-15-21-25-29-39(42)52-37(32-48-38(41)28-24-20-17-16-18-22-26-34(2)3)33-51-54(46,47)50-31-36(40)30-49-53(43,44)45/h34-37,40H,5-33H2,1-4H3,(H,46,47)(H2,43,44,45)/t35?,36-,37+/m0/s1
InChIKeyRUJBBGHHFXRLOI-AYZHLZKXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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/a-21:0) (CHEBI:230785) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(10-methylundecanoyloxy)propan-2-yl] 18-methylicosanoate
Manual XrefsDatabases
HMDB0116534HMDB
74878246ChemSpider