CHEBI:231146 - 11-Hydroxy-D4-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-Hydroxy-D4-neuroprostane
ChEBI ID CHEBI:231146
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H32O5
Net Charge 0
Average Mass 376.493
Monoisotopic Mass 376.22497
InChI InChI=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
InChIKey LFXPXGFITAKPQF-LXDZBCKASA-N
SMILES O[C@@H]1[C@H]([C@H](C(=O)C1)/C=C/[C@@H](O)C/C=C\C/C=C\C/C=C\CC)CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
74854246 ChemSpider
HMDB0062283 HMDB
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