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 ChemicalBook:CB1682968, ChemicalBook:CB51014122, eMolecules:475111, ZINC000002034597 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 Last Modified 21 July 2023