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CHEBI:185638 - PA(8:0/13:0)

ChEBI IDCHEBI:185638
ChEBI NamePA(8:0/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H47O8P
Net Charge0
Average Mass494.606
Monoisotopic Mass494.30086
SMILESCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC)COP(=O)(O)O
InChIInChI=1S/C24H47O8P/c1-3-5-7-9-10-11-12-13-15-17-19-24(26)32-22(21-31-33(27,28)29)20-30-23(25)18-16-14-8-6-4-2/h22H,3-21H2,1-2H3,(H2,27,28,29)/t22-/m1/s1
InChIKeyREQRISOJSILKKG-JOCHJYFZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(8:0/13:0) (CHEBI:185638) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-octanoyloxy-3-phosphonooxypropan-2-yl] tridecanoate
Manual XrefsDatabases
74877222ChemSpider
HMDB0115484HMDB