CHEBI:187424 - 11-Hydroperoxy-H4-neuroprostane

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 11-Hydroperoxy-H4-neuroprostane
ChEBI ID CHEBI:187424
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000030729497
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.492
Monoisotopic Mass 392.21989
InChI InChI=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
InChIKey KTZHAQYYTVLGSR-GUGPZQRGSA-N
SMILES O1O[C@]2([C@@H]([C@@H]([C@@]1(C2)[H])CCC(O)=O)/C=C/[C@@H](OO)C/C=C\C/C=C\C/C=C\CC)[H]
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0062282 HMDB
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