5-Methyl-5-hepten-2-one (CHEBI:172022)

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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-Methyl-5-hepten-2-one

ChEBI ID	CHEBI:172022

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C8H14O

Net Charge

Average Mass

126.199

Monoisotopic Mass

126.10447

InChI

InChI=1S/C8H14O/c1-4-7(2)5-6-8(3)9/h4H,5-6H2,1-3H3/b7-4-

InChIKey

UBAUYTYZPNZXIM-DAXSKMNVSA-N

SMILES

O=C(CC/C(/C)=C\C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606)	Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study

ChEBI Ontology
Outgoing	5-Methyl-5-hepten-2-one (CHEBI:172022) is a ketone (CHEBI:17087)

IUPAC Name

(Z)-5-methylhept-5-en-2-one