CHEBI:185511 - 10-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 10-hydroperoxy-h4-neuroprostane
ChEBI ID CHEBI:185511
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C22H32O6
Net Charge 0
Average Mass 392.492
Monoisotopic Mass 392.21989
InChI InChI=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
InChIKey QMVMCSYNPSQOII-CQZHOLLOSA-N
SMILES O1O[C@@]2([C@H]([C@H]([C@]1(C2)[H])C/C=C\CC)/C=C/[C@@H](OO)C/C=C\C/C=C\CCC(O)=O)[H]
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
HMDB0062274 HMDB
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