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CHEBI:184648 - PKOOA-PG

ChEBI IDCHEBI:184648
ChEBI NamePKOOA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H53O12P
Net Charge0
Average Mass636.716
Monoisotopic Mass636.32746
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C30H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(35)39-24-28(25-41-43(37,38)40-23-27(34)22-32)42-30(36)20-15-17-26(33)18-16-21-31/h16,18,21,27-28,32,34H,2-15,17,19-20,22-25H2,1H3,(H,37,38)/b18-16+/t27-,28+/m0/s1
InChIKeyHBOKFSNIKIKNHB-WCAXJYTHSA-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)
PKOOA-PG (CHEBI:184648) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-5,8-dioxooct-6-enoyl]oxypropyl] hexadecanoate
Manual XrefsDatabases
113380957ChemSpider
LMGP20060006LIPID MAPS