CHEBI:88411 - 2-Methyl-3-hexanone

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ChEBI Name 2-Methyl-3-hexanone ChEBI ID CHEBI:88411 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 C7H14O Net Charge 0 Average Mass 114.186 Monoisotopic Mass 114.10447 InChI InChI=1S/C7H14O/c1-4-5-7(8)6(2)3/h6H,4-5H2,1-3H3 InChIKey HIGGFWFRAWSMBR-UHFFFAOYSA-N SMILES CCCC(C(C)C)=O Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed ChEBI Ontology Outgoing 2-Methyl-3-hexanone (CHEBI:88411) is a ketone (CHEBI:17087) Synonym Source 2-methylhexan-3-one HMDB Manual Xref Database HMDB0061896 HMDB View more database links Citations Types Sources 12230250 PubMed citation Europe PMC 12403304 PubMed citation Europe PMC 17914780 PubMed citation Europe PMC 21815692 PubMed citation Europe PMC 23454028 PubMed citation Europe PMC 24421258 PubMed citation Europe PMC