CHEBI:179699 - 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-Methylbutan-2-one
ChEBI ID CHEBI:179699
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C5H10O
Net Charge 0
Average Mass 86.134
Monoisotopic Mass 86.07316
InChI InChI=1S/C5H10O/c1-4(2)5(3)6/h4H,1-3H3
InChIKey SYBYTAAJFKOIEJ-UHFFFAOYSA-N
SMILES O=C(C(C)C)C
ChEBI Ontology
Outgoing 3-Methylbutan-2-one (CHEBI:179699) is a ketone (CHEBI:17087)
IUPAC Name
3-methylbutan-2-one
Synonym Source
3-methylbutan-2-one UniProt
Manual Xrefs Databases
10777 ChemSpider
LMFA12000024 LIPID MAPS
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Registry Number Type Source
563-80-4 CAS Registry Number ChemIDplus
Last Modified
17 July 2023