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CHEBI:186986 - PON-PG

ChEBI IDCHEBI:186986
ChEBI NamePON-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H59O11P
Net Charge0
Average Mass638.776
Monoisotopic Mass638.37950
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCC=O
InChIInChI=1S/C31H59O11P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(35)39-26-29(27-41-43(37,38)40-25-28(34)24-33)42-31(36)22-19-16-13-14-17-20-23-32/h23,28-29,33-34H,2-22,24-27H2,1H3,(H,37,38)/t28-,29+/m0/s1
InChIKeyIBQCTUCZTNJJMG-URLMMPGGSA-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)
PON-PG (CHEBI:186986) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(9-oxononanoyloxy)propyl] hexadecanoate
Manual XrefsDatabases
LMGP20060013LIPID MAPS
113380964ChemSpider