CHEBI:191436 - Trans, trans-3,5-Octadien-2-one

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 Trans, trans-3,5-Octadien-2-one
ChEBI ID CHEBI:191436
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H12O
Net Charge 0
Average Mass 124.183
Monoisotopic Mass 124.08882
InChI InChI=1S/C8H12O/c1-3-4-5-6-7-8(2)9/h4-7H,3H2,1-2H3/b5-4+,7-6+
InChIKey LWRKMRFJEUFXIB-YTXTXJHMSA-N
SMILES O=C(\C=C\C=C\CC)C
Metabolite of Species Details
Solanum tuberosum (NCBI:txid4113) Found in leaf (BTO:0000713). See: MetaboLights Study
ChEBI Ontology
Outgoing Trans, trans-3,5-Octadien-2-one (CHEBI:191436) is a enone (CHEBI:51689)
IUPAC Name
(3E,5E)-octa-3,5-dien-2-one
Manual Xrefs Databases
4509692 ChemSpider
HMDB0032446 HMDB
LMFA12000017 LIPID MAPS
View more database links
Registry Number Type Source
38284-27-4 CAS Registry Number ChemIDplus