6-Methyl-3-hepten-2-one, trans- (CHEBI:172024)

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	6-Methyl-3-hepten-2-one, trans-

ChEBI ID	CHEBI:172024

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/c1-7(2)5-4-6-8(3)9/h4,6-7H,5H2,1-3H3/b6-4+

InChIKey

RSNMTAYSENLHOW-GQCTYLIASA-N

SMILES

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

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

ChEBI Ontology
Outgoing	6-Methyl-3-hepten-2-one, trans- (CHEBI:172024) is a enone (CHEBI:51689)

IUPAC Name

(E)-6-methylhept-3-en-2-one

Registry Number	Type	Source
2009-74-7	CAS Registry Number	ChemIDplus