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CHEBI:185511 - 10-hydroperoxy-h4-neuroprostane

ChEBI IDCHEBI:185511
ChEBI Name10-hydroperoxy-h4-neuroprostane
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILES[H][C@]12C[C@]([H])(OO1)[C@@H](/C=C/[C@H](C/C=C\C/C=C\CCC(=O)O)OO)[C@H]2C/C=C\CC
InChIInChI=1S/C22H32O6/c1-2-3-8-12-18-19(21-16-20(18)27-28-21)15-14-17(26-25)11-9-6-4-5-7-10-13-22(23)24/h3,5-9,14-15,17-21,25H,2,4,10-13,16H2,1H3,(H,23,24)/b7-5-,8-3-,9-6-,15-14+/t17-,18+,19-,20+,21-/m0/s1
InChIKeyQMVMCSYNPSQOII-CQZHOLLOSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
10-hydroperoxy-h4-neuroprostane (CHEBI:185511) is a prostanoid (CHEBI:26347)
IUPAC Name 
(4Z,7Z,10S,11E)-10-hydroperoxy-12-[(1R,4S,5S,6R)-6-[(Z)-pent-2-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoic acid
Manual XrefsDatabases
HMDB0062274HMDB