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CHEBI:185352 - OKOOA-PA

ChEBI IDCHEBI:185352
ChEBI NameOKOOA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H49O10P
Net Charge0
Average Mass588.675
Monoisotopic Mass588.30633
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C29H49O10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(32)37-24-27(25-38-40(34,35)36)39-29(33)22-17-19-26(31)20-18-23-30/h9-10,18,20,23,27H,2-8,11-17,19,21-22,24-25H2,1H3,(H2,34,35,36)/b10-9-,20-18+/t27-/m1/s1
InChIKeyUVIYMCDHXVPFLM-FWLMWTQPSA-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)
OKOOA-PA (CHEBI:185352) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(E)-5,8-dioxooct-6-enoyl]oxy-3-phosphonooxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
113381016ChemSpider
LMGP20070029LIPID MAPS