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CHEBI:151115 - 2,3-dimethylpentane

ChEBI IDCHEBI:151115
ChEBI Name2,3-dimethylpentane
Stars
DefinitionAn alkane that is pentane substituted by a methyl group at positions 2 and 3.
Last Modified18 February 2021
Submittermwilliams
DownloadsMolfile
FormulaC7H16
Net Charge0
Average Mass100.205
Monoisotopic Mass100.12520
SMILESCCC(C)C(C)C
InChIInChI=1S/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3
InChIKeyWGECXQBGLLYSFP-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) cell lysate (BTO:0004304) MetaboLights (MTBLS1079) Strain: Escherichia coli str. K-12 substr. DH10B [NCBITAXON:316385]
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
2,3-dimethylpentane (CHEBI:151115) has role bacterial metabolite (CHEBI:76969)
2,3-dimethylpentane (CHEBI:151115) is a alkane (CHEBI:18310)
2,3-dimethylpentane (CHEBI:151115) is a volatile organic compound (CHEBI:134179)
Incoming Relation(s)
(3R)-2,3-dimethylpentane (CHEBI:167515) is a 2,3-dimethylpentane (CHEBI:151115)
(3S)-2,3-dimethylpentane (CHEBI:167516) is a 2,3-dimethylpentane (CHEBI:151115)
IUPAC Name 
2,3-dimethylpentane
Synonym  Source
3,4-dimethylpentaneChemIDplus
Manual XrefsDatabases
2,3-DimethylpentaneWikipedia
10786ChemSpider
Registry NumbersSources
Reaxys:1718734Reaxys
CAS:565-59-3ChemIDplus
CAS:565-59-3NIST Chemistry WebBook
Citations