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CHEBI:165737 - 3-ethylpentane

ChEBI IDCHEBI:165737
ChEBI Name3-ethylpentane
Stars
DefinitionAn alkane that is pentane substituted by an ethyl group at position 3.
Last Modified18 February 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H16
Net Charge0
Average Mass100.205
Monoisotopic Mass100.12520
SMILESCCC(CC)CC
InChIInChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKeyAORMDLNPRGXHHL-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Microcoleus vaginatus (ncbitaxon:119532) - PubMed ( 11357397)
Homo sapiens (ncbitaxon:9606) faeces (UBERON:0001988) PubMed (32126087)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
3-ethylpentane (CHEBI:165737) has role bacterial metabolite (CHEBI:76969)
3-ethylpentane (CHEBI:165737) has role human metabolite (CHEBI:77746)
3-ethylpentane (CHEBI:165737) is a alkane (CHEBI:18310)
3-ethylpentane (CHEBI:165737) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
3-ethylpentane
Synonyms  Source
triethylmethaneChEBI
3-ethyl-pentaneChEBI
3-etilpentanoChEBI
3-EthylpentanChEBI
3-éthylpentaneChEBI
Manual XrefsDatabases
11551ChemSpider
LMFA11000702LIPID MAPS
3-EthylpentaneWikipedia
Registry NumbersSources
Reaxys:1730760Reaxys
CAS:617-78-7ChemIDplus
CAS:617-78-7NIST Chemistry WebBook
Citations