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CHEBI:84250 - 4-methylundecane

ChEBI IDCHEBI:84250
ChEBI Name4-methylundecane
Stars
DefinitionAn alkane that is undecane substituted by a methyl group at position 4. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC12H26
Net Charge0
Average Mass170.340
Monoisotopic Mass170.20345
SMILESCCCCCCCC(C)CCC
InChIInChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3
InChIKeyKNMXZGDUJVOTOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (25518943) Metabolite observed in cancer metabolism.
- MetaboLights (MTBLS150)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
4-methylundecane (CHEBI:84250) has parent hydride undecane (CHEBI:46342)
4-methylundecane (CHEBI:84250) has role human metabolite (CHEBI:77746)
4-methylundecane (CHEBI:84250) is a alkane (CHEBI:18310)
IUPAC Name 
4-methylundecane
Registry NumbersSources
Reaxys:1731753Reaxys
Citations