CHEBI:167143 - 5-Hepten-2-one

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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-Hepten-2-one
ChEBI ID CHEBI:167143
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C7H12O
Net Charge 0
Average Mass 112.172
Monoisotopic Mass 112.08882
InChI InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3/b4-3+
InChIKey RTYRONIMTRDBLT-ONEGZZNKSA-N
SMILES O=C(CC/C=C/C)C
Metabolite of Species Details
Ovis aries (NCBI:txid9940) Found in Cheese (NCIT:C178207). of strain Lacaune [LBO:0001072] See: MetaboLights Study
ChEBI Ontology
Outgoing 5-Hepten-2-one (CHEBI:167143) is a ketone (CHEBI:17087)
IUPAC Name
(E)-hept-5-en-2-one
Manual Xrefs Databases
4515499 ChemSpider
LMFA12000110 LIPID MAPS
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Registry Number Type Source
1071-94-9 CAS Registry Number ChemIDplus
Last Modified
31 October 2024