CHEBI:186784 - 3-Phenyl-4-pentenal

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 3-Phenyl-4-pentenal
ChEBI ID CHEBI:186784
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H12O
Net Charge 0
Average Mass 160.216
Monoisotopic Mass 160.08882
InChI InChI=1S/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2
InChIKey XQTAGXUFCZLHIQ-UHFFFAOYSA-N
SMILES O=CCC(C1=CC=CC=C1)C=C
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 3-Phenyl-4-pentenal (CHEBI:186784) is a benzenes (CHEBI:22712)
IUPAC Name
3-phenylpent-4-enal
Manual Xrefs Databases
55184 ChemSpider
HMDB0038790 HMDB
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Registry Number Type Source
939-21-9 CAS Registry Number ChemIDplus