CHEBI:195863 - 5-Methylheptan-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 5-Methylheptan-2-one
ChEBI ID CHEBI:195863
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H16O
Net Charge 0
Average Mass 128.215
Monoisotopic Mass 128.12012
InChI InChI=1S/C8H16O/c1-4-7(2)5-6-8(3)9/h7H,4-6H2,1-3H3
InChIKey WYDAUGNQLUXTFB-UHFFFAOYSA-N
SMILES O=C(CCC(CC)C)C
ChEBI Ontology
Outgoing 5-Methylheptan-2-one (CHEBI:195863) is a ketone (CHEBI:17087)
IUPAC Name
5-methylheptan-2-one
Manual Xrefs Databases
26943 ChemSpider
LMFA12000050 LIPID MAPS
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