CHEBI:171939 - 4-Hydroperoxy-2-nonenal

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ChEBI Name 4-Hydroperoxy-2-nonenal
ChEBI ID CHEBI:171939
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H16O3
Net Charge 0
Average Mass 172.224
Monoisotopic Mass 172.10994
InChI InChI=1S/C9H16O3/c1-2-3-4-6-9(12-11)7-5-8-10/h5,7-9,11H,2-4,6H2,1H3/b7-5+
InChIKey TVNYLRYVAZWBEH-FNORWQNLSA-N
SMILES O(O)C(CCCCC)/C=C/C=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing 4-Hydroperoxy-2-nonenal (CHEBI:171939) is a fatty aldehyde (CHEBI:35746)
IUPAC Name
(E)-4-hydroperoxynon-2-enal
Manual Xrefs Databases
4940200 ChemSpider
HMDB0060287 HMDB
LMFA06000253 LIPID MAPS
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Registry Number Type Source
83920-83-6 CAS Registry Number ChemIDplus