CHEBI:87754 - 2,4-dimethyl-3-pentanone

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ChEBI Name 2,4-dimethyl-3-pentanone
ChEBI ID CHEBI:87754
Definition A pentanone that is pentan-3-one substituted by methyl groups at positions 2 and 4 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H14O
Net Charge 0
Average Mass 114.186
Monoisotopic Mass 114.10447
InChI InChI=1S/C7H14O/c1-5(2)7(8)6(3)4/h5-6H,1-4H3
InChIKey HXVNBWAKAOHACI-UHFFFAOYSA-N
SMILES C(C(C)C)(C(C)C)=O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 2,4-dimethyl-3-pentanone (CHEBI:87754) has functional parent pentan-3-one (CHEBI:87755)
2,4-dimethyl-3-pentanone (CHEBI:87754) has role metabolite (CHEBI:25212)
2,4-dimethyl-3-pentanone (CHEBI:87754) is a pentanone (CHEBI:25892)
IUPAC Name
2,4-dimethylpentan-3-one
Registry Numbers Types Sources
565-80-0 CAS Registry Number ChemIDplus
565-80-0 CAS Registry Number NIST Chemistry WebBook
773782 Reaxys Registry Number Reaxys
Last Modified
23 October 2015