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CHEBI:132281 - 4-methyltridecane

ChEBI IDCHEBI:132281
ChEBI Name4-methyltridecane
Stars
DefinitionA branched alkane consisting of tridecane bearing a single methyl substituent at position 4.
Last Modified9 December 2016
SubmitterKeeva
DownloadsMolfile
FormulaC14H30
Net Charge0
Average Mass198.394
Monoisotopic Mass198.23475
SMILESCCCCCCCCCC(C)CCC
InChIInChI=1S/C14H30/c1-4-6-7-8-9-10-11-13-14(3)12-5-2/h14H,4-13H2,1-3H3
InChIKeyBPHJCXVZYVVFBT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida DOT-T1E (ncbitaxon:1196325) - MetaboLights (MTBLS319)
Brassica rapa (ncbitaxon:3711) - PubMed (21448706)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
4-methyltridecane (CHEBI:132281) has role plant metabolite (CHEBI:76924)
4-methyltridecane (CHEBI:132281) is a alkane (CHEBI:18310)
IUPAC Name 
4-methyltridecane
Manual XrefsDatabases
104846ChemSpider
Registry NumbersSources
Reaxys:1733870Reaxys
CAS:26730-12-1ChemIDplus
CAS:26730-12-1NIST Chemistry WebBook
Citations