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CHEBI:143848 - 3-methylhexane

ChEBI IDCHEBI:143848
ChEBI Name3-methylhexane
Stars
DefinitionAn alkane that is hexane substituted by a methyl group at position 3.
Last Modified6 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC7H16
Net Charge0
Average Mass100.205
Monoisotopic Mass100.12520
SMILESCCCC(C)CC
InChIInChI=1S/C7H16/c1-4-6-7(3)5-2/h7H,4-6H2,1-3H3
InChIKeyVLJXXKKOSFGPHI-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) bile (BTO:0000121) PubMed (25500329)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
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-ethylpentaneChemIDplus
Manual XrefsDatabases
11023ChemSpider
C00050708KNApSAcK
3-MethylhexaneWikipedia
Registry NumbersSources
CAS:589-34-4ChemIDplus
CAS:589-34-4NIST Chemistry WebBook
Citations