CHEBI:172026 - 4-Octen-3-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 4-Octen-3-one
ChEBI ID CHEBI:172026
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C8H14O
Net Charge 0
Average Mass 126.199
Monoisotopic Mass 126.10447
InChI InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h6-7H,3-5H2,1-2H3/b7-6+
InChIKey JPTOCTSNXXKSSN-VOTSOKGWSA-N
SMILES O=C(CC)\C=C\CCC
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 4-Octen-3-one (CHEBI:172026) is a enone (CHEBI:51689)
IUPAC Name
(E)-oct-4-en-3-one
Manual Xrefs Databases
4520211 ChemSpider
HMDB0032451 HMDB
View more database links
Registry Number Type Source
69065-31-2 CAS Registry Number ChemIDplus