CHEBI:88429 - methylcyclopentane

ChEBI IDCHEBI:88429
ChEBI Namemethylcyclopentane
Stars
DefinitionA cycloalkane that is cyclopentane substituted by a single methyl group.
Last Modified5 March 2021
DownloadsMolfile
FormulaC6H12
Net Charge0
Average Mass84.162
Monoisotopic Mass84.09390
SMILESCC1CCCC1
InChIInChI=1S/C6H12/c1-6-4-2-3-5-6/h6H,2-5H2,1H3
InChIKeyGDOPTJXRTPNYNR-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (24421258)
Apium graveolens Dulce Group (ncbitaxon:117781) - DOI (10.1016/S0031-9422(00)97866-X)
Apium graveolens Rapaceum Group (ncbitaxon:278110) - DOI (10.1016/S0031-9422(00)97866-X)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
methylcyclopentane (CHEBI:88429) has parent hydride cyclopentane (CHEBI:23492)
methylcyclopentane (CHEBI:88429) has role human metabolite (CHEBI:77746)
methylcyclopentane (CHEBI:88429) has role plant metabolite (CHEBI:76924)
methylcyclopentane (CHEBI:88429) is a cycloalkane (CHEBI:23453)
methylcyclopentane (CHEBI:88429) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
methylcyclopentane
Synonyms  Source
methyl-cyclopentaneHMDB
methylpentamethyleneChemIDplus
methyl cyclopentaneChemIDplus
Manual XrefsDatabases
HMDB0031542HMDB
FDB008152FooDB
MethylcyclopentaneWikipedia
7024ChemSpider
EP0072599Patent
Registry NumbersSources
Reaxys:1900214Reaxys
CAS:96-37-7ChemIDplus
CAS:96-37-7NIST Chemistry WebBook
Citations