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CHEBI:184931 - OKHdiA-PA

ChEBI IDCHEBI:184931
ChEBI NameOKHdiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H47O11P
Net Charge0
Average Mass590.647
Monoisotopic Mass590.28560
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C28H47O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(32)37-22-25(23-38-40(34,35)36)39-28(33)21-19-24(29)18-20-26(30)31/h9-10,18,20,25H,2-8,11-17,19,21-23H2,1H3,(H,30,31)(H2,34,35,36)/b10-9-,20-18+/t25-/m1/s1
InChIKeyFRDPXMCLHQEKDB-PRKCMIBCSA-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)
OKHdiA-PA (CHEBI:184931) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-7-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual XrefsDatabases
113381013ChemSpider
LMGP20070026LIPID MAPS