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CHEBI:187424 - 11-Hydroperoxy-H4-neuroprostane

ChEBI IDCHEBI:187424
ChEBI Name11-Hydroperoxy-H4-neuroprostane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@]12C[C@]([H])(OO1)[C@@H](CCC(=O)O)[C@H]2/C=C/[C@H](C/C=C\C/C=C\C/C=C\CC)OO
InChIInChI=1S/C22H32O6/c1-2-3-4-5-6-7-8-9-10-11-17(26-25)12-13-18-19(14-15-22(23)24)21-16-20(18)27-28-21/h3-4,6-7,9-10,12-13,17-21,25H,2,5,8,11,14-16H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12+/t17-,18+,19-,20+,21-/m0/s1
InChIKeyKTZHAQYYTVLGSR-GUGPZQRGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
11-Hydroperoxy-H4-neuroprostane (CHEBI:187424) is a prostanoid (CHEBI:26347)
IUPAC Name 
3-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-hydroperoxytetradeca-1,5,8,11-tetraenyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoic acid
Manual XrefsDatabases
HMDB0062282HMDB