CHEBI:179407 - 3-Hydroxy-3-methylbutan-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 3-Hydroxy-3-methylbutan-2-one
ChEBI ID CHEBI:179407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C5H10O2
Net Charge 0
Average Mass 102.133
Monoisotopic Mass 102.06808
InChI InChI=1S/C5H10O2/c1-4(6)5(2,3)7/h7H,1-3H3
InChIKey BNDRWEVUODOUDW-UHFFFAOYSA-N
SMILES OC(C)(C)C(=O)C
ChEBI Ontology
Outgoing 3-Hydroxy-3-methylbutan-2-one (CHEBI:179407) is a secondary α-hydroxy ketone (CHEBI:2468)
IUPAC Name
3-hydroxy-3-methylbutan-2-one
Manual Xrefs Databases
7963 ChemSpider
LMFA12000066 LIPID MAPS
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Registry Number Type Source
115-22-0 CAS Registry Number ChemIDplus