CHEBI:195655 - 5-Methyl-3E-hexen-2-one

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 5-Methyl-3E-hexen-2-one
ChEBI ID CHEBI:195655
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H12O
Net Charge 0
Average Mass 112.172
Monoisotopic Mass 112.08882
InChI InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+
InChIKey IYMKNYVCXUEFJE-SNAWJCMRSA-N
SMILES O=C(\C=C\C(C)C)C
ChEBI Ontology
Outgoing 5-Methyl-3E-hexen-2-one (CHEBI:195655) is a enone (CHEBI:51689)
IUPAC Name
(E)-5-methylhex-3-en-2-one
Manual Xrefs Databases
4515526 ChemSpider
D91593 KEGG DRUG
LMFA12000010 LIPID MAPS
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