CHEBI:89206 - 2-Oxohexane

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ChEBI Name 2-Oxohexane ChEBI ID CHEBI:89206 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 C6H12O Net Charge 0 Average Mass 100.159 Monoisotopic Mass 100.08882 InChI InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3 InChIKey QQZOPKMRPOGIEB-UHFFFAOYSA-N SMILES O=C(CCCC)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 2-Oxohexane (CHEBI:89206) is a ketone (CHEBI:17087) Synonyms Sources 2-Hexanone HMDB 2-Hexanone Methyl N-butyl ketone HMDB Butyl methyl ketone HMDB Hexan-2-one HMDB hexan-2-one HMDB hexan-2-one UniProt Methyl butyl ketone HMDB Methyl N-butyl ketone HMDB MNBK HMDB N-Butyl methyl ketone HMDB N-C4H9COCH3 HMDB Propylacetone HMDB Manual Xrefs Databases 2K-ADIPATE MetaCyc HMDB0005842 HMDB View more database links Registry Number Type Source 591-78-6 CAS Registry Number KEGG COMPOUND Citations Types Sources 17314143 PubMed citation Europe PMC 24023812 PubMed citation Europe PMC 2550357 PubMed citation Europe PMC 5556886 PubMed citation Europe PMC 6278344 PubMed citation Europe PMC Last Modified 21 July 2023