CHEBI:173332 - 4-Methyl-4-penten-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 4-Methyl-4-penten-2-one
ChEBI ID CHEBI:173332
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H10O
Net Charge 0
Average Mass 98.145
Monoisotopic Mass 98.07316
InChI InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3
InChIKey VADUDTKCGJKNDY-UHFFFAOYSA-N
SMILES O=C(CC(C)=C)C
ChEBI Ontology
Outgoing 4-Methyl-4-penten-2-one (CHEBI:173332) is a ketone (CHEBI:17087)
IUPAC Name
4-methylpent-4-en-2-one
Manual Xrefs Databases
23350988 ChemSpider
HMDB0031564 HMDB
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Registry Number Type Source
3744-02-3 CAS Registry Number ChemIDplus