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CHEBI:132293 - 2-methylicosane

ChEBI IDCHEBI:132293
ChEBI Name2-methylicosane
Stars
DefinitionA branched alkane consisting of icosane bearing a single methyl substituent at position 2.
Last Modified12 January 2017
SubmitterKeeva
DownloadsMolfile
FormulaC21H44
Net Charge0
Average Mass296.583
Monoisotopic Mass296.34430
SMILESCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C21H44/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3/h21H,4-20H2,1-3H3
InChIKeyMLKZKPUBHSWMNA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas putida DOT-T1E (ncbitaxon:1196325) - MetaboLights (MTBLS319)
ChEBI Ontology
Outgoing Relation(s)
2-methylicosane (CHEBI:132293) is a alkane (CHEBI:18310)
IUPAC Name 
2-methylicosane
Synonyms  Source
2-methyleicosaneChEBI
IsoheneicosaneChemIDplus
isohenicosaneChEBI
Manual XrefsDatabases
452834ChemSpider
Registry NumbersSources
Reaxys:1748513Reaxys
CAS:52845-08-6ChemIDplus