CHEBI:195650 - 3-Methylpentan-2-one

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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 3-Methylpentan-2-one
ChEBI ID CHEBI:195650
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C6H12O
Net Charge 0
Average Mass 100.161
Monoisotopic Mass 100.08882
InChI InChI=1S/C6H12O/c1-4-5(2)6(3)7/h5H,4H2,1-3H3
InChIKey UIHCLUNTQKBZGK-UHFFFAOYSA-N
SMILES O=C(C(CC)C)C
ChEBI Ontology
Outgoing 3-Methylpentan-2-one (CHEBI:195650) is a ketone (CHEBI:17087)
IUPAC Name
3-methylpentan-2-one
Manual Xrefs Databases
10788 ChemSpider
LMFA12000027 LIPID MAPS
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Registry Number Type Source
565-61-7 CAS Registry Number ChemIDplus