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CHEBI:186995 - PKOHA-PA

ChEBI IDCHEBI:186995
ChEBI NamePKOHA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45O10P
Net Charge0
Average Mass548.610
Monoisotopic Mass548.27503
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C26H45O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(29)34-21-24(22-35-37(31,32)33)36-26(30)19-18-23(28)16-15-20-27/h15-16,20,24H,2-14,17-19,21-22H2,1H3,(H2,31,32,33)/b16-15+/t24-/m1/s1
InChIKeyUQYMHPQBZYKYNN-RFAWQRTRSA-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)
PKOHA-PA (CHEBI:186995) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-4,7-dioxohept-5-enoyl]oxy-3-phosphonooxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20070010LIPID MAPS
113380997ChemSpider