CHEBI:195746 - 4-Methylhexan-3-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-Methylhexan-3-one
ChEBI ID CHEBI:195746
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H14O
Net Charge 0
Average Mass 114.188
Monoisotopic Mass 114.10447
InChI InChI=1S/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3
InChIKey ULPMRIXXHGUZFA-UHFFFAOYSA-N
SMILES O=C(C(CC)C)CC
ChEBI Ontology
Outgoing 4-Methylhexan-3-one (CHEBI:195746) is a ketone (CHEBI:17087)
IUPAC Name
4-methylhexan-3-one
Manual Xrefs Databases
78015 ChemSpider
LMFA12000032 LIPID MAPS
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