CHEBI:195858 - 5-Methylheptan-3-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 5-Methylheptan-3-one
ChEBI ID CHEBI:195858
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(3)6-8(9)5-2/h7H,4-6H2,1-3H3
InChIKey PSBKJPTZCVYXSD-UHFFFAOYSA-N
SMILES O=C(CC(CC)C)CC
ChEBI Ontology
Outgoing 5-Methylheptan-3-one (CHEBI:195858) is a ketone (CHEBI:17087)
IUPAC Name
5-methylheptan-3-one
Manual Xrefs Databases
7534 ChemSpider
HMDB0302765 HMDB
LMFA12000112 LIPID MAPS
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Registry Number Type Source
541-85-5 CAS Registry Number ChemIDplus