EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:84222 - 1-iodo-2-methylundecane

ChEBI IDCHEBI:84222
ChEBI Name1-iodo-2-methylundecane
Stars
DefinitionAn iodoalkane that is undecane substituted by an iodo group at position 1 and a methyl group at position 2. Metabolite observed in cancer metabolism.
Last Modified14 January 2015
Submitternamrata
DownloadsMolfile
FormulaC12H25I
Net Charge0
Average Mass296.236
Monoisotopic Mass296.10010
SMILESCCCCCCCCCC(C)CI
InChIInChI=1S/C12H25I/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12H,3-11H2,1-2H3
InChIKeyRTWBFGUVCAVDFO-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)
1-iodo-2-methylundecane (CHEBI:84222) has role human metabolite (CHEBI:77746)
1-iodo-2-methylundecane (CHEBI:84222) is a iodoalkane (CHEBI:37757)
IUPAC Name 
1-iodo-2-methylundecane
Registry NumbersSources
Reaxys:2232824Reaxys
Citations