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CHEBI:87582 - (4E)-hept-4-en-2-one

ChEBI IDCHEBI:87582
ChEBI Name(4E)-hept-4-en-2-one
Stars
ASCII Name(4E)-hept-4-en-2-one
DefinitionA methyl ketone heptan-2-one carrying a double bond at position 4.
Last Modified20 August 2015
Submitternamrata
DownloadsMolfile
FormulaC7H12O
Net Charge0
Average Mass112.172
Monoisotopic Mass112.08882
SMILESCC/C=C/CC(C)=O
InChIInChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h4-5H,3,6H2,1-2H3/b5-4+
InChIKeyVQKIKHHXFHNXJT-SNAWJCMRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(4E)-hept-4-en-2-one (CHEBI:87582) has role metabolite (CHEBI:25212)
(4E)-hept-4-en-2-one (CHEBI:87582) is a methyl ketone (CHEBI:51867)
(4E)-hept-4-en-2-one (CHEBI:87582) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(4E)-hept-4-en-2-one
Registry NumbersSources
Reaxys:2497435Reaxys
CAS:36678-43-0NIST Chemistry WebBook