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CHEBI:231146 - 11-Hydroxy-D4-neuroprostane

ChEBI IDCHEBI:231146
ChEBI Name11-Hydroxy-D4-neuroprostane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O5
Net Charge0
Average Mass376.493
Monoisotopic Mass376.22497
SMILESCC/C=C\C/C=C\C/C=C\C[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@H]1CCC(=O)O
InChIInChI=1S/C22H32O5/c1-2-3-4-5-6-7-8-9-10-11-17(23)12-13-18-19(14-15-22(26)27)21(25)16-20(18)24/h3-4,6-7,9-10,12-13,17-19,21,23,25H,2,5,8,11,14-16H2,1H3,(H,26,27)/b4-3-,7-6-,10-9-,13-12+/t17-,18+,19-,21-/m0/s1
InChIKeyLFXPXGFITAKPQF-LXDZBCKASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
11-Hydroxy-D4-neuroprostane (CHEBI:231146) is a aliphatic alcohol (CHEBI:2571)
IUPAC Name 
3-[(1S,2R,5S)-5-hydroxy-2-[(1E,3S,5Z,8Z,11Z)-3-hydroxytetradeca-1,5,8,11-tetraenyl]-3-oxocyclopentyl]propanoic acid
Manual XrefsDatabases
74854246ChemSpider
HMDB0062283HMDB