CHEBI:195743 - 4S-Methylhexan-3-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 4S-Methylhexan-3-one
ChEBI ID CHEBI:195743
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H14O
Net Charge 0
Average Mass 114.188
Monoisotopic Mass 114.10447
InChI InChI=1S/C7H14O/c1-4-6(3)7(8)5-2/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKey ULPMRIXXHGUZFA-LURJTMIESA-N
SMILES O=C([C@H](CC)C)CC
ChEBI Ontology
Outgoing 4S-Methylhexan-3-one (CHEBI:195743) is a ketone (CHEBI:17087)
IUPAC Name
(4S)-4-methylhexan-3-one
Manual Xrefs Databases
26995928 ChemSpider
LMFA12000079 LIPID MAPS
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