CHEBI:89712 - 3-Octen-2-one

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ChEBI Name 3-Octen-2-one ChEBI ID CHEBI:89712 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H14O Net Charge 0 Average Mass 126.196 Monoisotopic Mass 126.10447 InChI InChI=1S/C8H14O/c1-3-4-5-6-7-8(2)9/h6-7H,3-5H2,1-2H3/b7-6+ InChIKey ZCFOBLITZWHNNC-VOTSOKGWSA-N SMILES CCCC/C=C/C(C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing 3-Octen-2-one (CHEBI:89712) has functional parent acrylic acid (CHEBI:18308) 3-Octen-2-one (CHEBI:89712) is a olefinic compound (CHEBI:78840) Synonyms Sources (3E)-3-Octen-2-one HMDB (3E)-oct-3-en-2-one HMDB (E)-3-Octen-2-one HMDB FEMA 3416 HMDB trans-3-Octen-2-one HMDB Manual Xref Database HMDB0033547 HMDB View more database links Registry Number Type Source 1669-44-9 CAS Registry Number KEGG COMPOUND Citation Type Source 21970810 PubMed citation Europe PMC