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CHEBI:191611 - PA(10:0/8:0)

ChEBI IDCHEBI:191611
ChEBI NamePA(10:0/8:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H41O8P
Net Charge0
Average Mass452.525
Monoisotopic Mass452.25390
SMILESCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
InChIInChI=1S/C21H41O8P/c1-3-5-7-9-10-12-13-15-20(22)27-17-19(18-28-30(24,25)26)29-21(23)16-14-11-8-6-4-2/h19H,3-18H2,1-2H3,(H2,24,25,26)/t19-/m1/s1
InChIKeyKGGUWSAEMWMREA-LJQANCHMSA-N
Species of MetaboliteComponentSourceComments
Solanum tuberosum (ncbitaxon:4113) leaf (BTO:0000713) MetaboLights (MTBLS4365)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(10:0/8:0) (CHEBI:191611) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-octanoyloxy-3-phosphonooxypropyl] decanoate
Manual XrefsDatabases
HMDB0114778HMDB
74876545ChemSpider