CHEBI:143848 - 3-methylhexane

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ChEBI Name 3-methylhexane ChEBI ID CHEBI:143848 Definition An alkane that is hexane substituted by a methyl group at position 3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Mark Williams Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C7H16 Net Charge 0 Average Mass 100.205 Monoisotopic Mass 100.12520 InChI InChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3 InChIKey VLJXXKKOSFGPHI-UHFFFAOYSA-N SMILES C(CCC)(CC)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in bile (BTO:0000121). See: PubMed Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methylhexane (CHEBI:143848) has role human metabolite (CHEBI:77746) 3-methylhexane (CHEBI:143848) is a alkane (CHEBI:18310) 3-methylhexane (CHEBI:143848) is a volatile organic compound (CHEBI:134179) IUPAC Name 3-methylhexane Synonym Source 2-ethylpentane ChemIDplus Manual Xrefs Databases 11023 ChemSpider 3-Methylhexane Wikipedia C00050708 KNApSAcK View more database links Registry Numbers Types Sources 589-34-4 CAS Registry Number NIST Chemistry WebBook 589-34-4 CAS Registry Number ChemIDplus Citations Types Sources 25500329 PubMed citation Europe PMC 25523187 PubMed citation Europe PMC 26646671 PubMed citation Europe PMC 30912423 PubMed citation Europe PMC IND605432606 Agricola citation Europe PMC Last Modified 06 June 2019