CHEBI:177003 - methylheptenone

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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 methylheptenone
ChEBI ID CHEBI:177003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O
Net Charge 0
Average Mass 126.199
Monoisotopic Mass 126.10447
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3
InChIKey JPTOCTSNXXKSSN-UHFFFAOYSA-N
SMILES O=C(CC)C=CCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing methylheptenone (CHEBI:177003) is a enone (CHEBI:51689)
IUPAC Name
oct-4-en-3-one
Manual Xrefs Databases
75974 ChemSpider
C07287 KEGG COMPOUND
View more database links
Registry Number Type Source
14129-48-7 CAS Registry Number ChemIDplus