Hex-4-yn-3-one (CHEBI:229327)

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CHEBI:229327 - Hex-4-yn-3-one

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ChEBI ID	CHEBI:229327
ChEBI Name	Hex-4-yn-3-one
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C6H8O
Net Charge	0
Average Mass	96.129
Monoisotopic Mass	96.05751
SMILES	CC#CC(=O)CC
InChI	InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3
InChIKey	BIWUZTZFFUMZIG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryctolagus cuniculus (ncbitaxon:9986)	longissimus thoracis (BTO:0001651)	MetaboLights (MTBLS8958)

ChEBI Ontology

Outgoing Relation(s)
	Hex-4-yn-3-one (CHEBI:229327) is a α,β-unsaturated ketone (CHEBI:51721)

IUPAC Name
hex-4-yn-3-one

Manual Xrefs	Databases
122772	ChemSpider