CHEBI:195862 - 3-Methylheptan-4-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-Methylheptan-4-one
ChEBI ID CHEBI:195862
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/c1-4-6-8(9)7(3)5-2/h7H,4-6H2,1-3H3
InChIKey NHIMSNHOEAVUKE-UHFFFAOYSA-N
SMILES O=C(C(CC)C)CCC
ChEBI Ontology
Outgoing 3-Methylheptan-4-one (CHEBI:195862) is a ketone (CHEBI:17087)
IUPAC Name
3-methylheptan-4-one
Manual Xrefs Databases
25562 ChemSpider
D91475 KEGG DRUG
LMFA12000026 LIPID MAPS
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