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CHEBI:169757 - PKOOA-PA

ChEBI IDCHEBI:169757
ChEBI NamePKOOA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H47O10P
Net Charge0
Average Mass562.637
Monoisotopic Mass562.29068
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C27H47O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-26(30)35-22-25(23-36-38(32,33)34)37-27(31)20-15-17-24(29)18-16-21-28/h16,18,21,25H,2-15,17,19-20,22-23H2,1H3,(H2,32,33,34)/b18-16+/t25-/m1/s1
InChIKeyILTIRVQFOVFJLY-QQDPUAARSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PKOOA-PA (CHEBI:169757) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20070006LIPID MAPS