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CHEBI:143849 - 2,3,3-trimethylpentane

ChEBI IDCHEBI:143849
ChEBI Name2,3,3-trimethylpentane
Stars
DefinitionA branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3.
Last Modified4 June 2019
Submittermwilliams
DownloadsMolfile
FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCCC(C)(C)C(C)C
InChIInChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3
InChIKeyOKVWYBALHQFVFP-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) PubMed (30531924)
Pseudomonas fluorescens (ncbitaxon:294) - PubMed (30671028) Strain: SG-1
Bacillus megaterium (ncbitaxon:1404) - PubMed (30671028) Strain: Mes11
Bos taurus (ncbitaxon:9913) - DOI (10.1111/j.1365-2621.2002.tb10325.x ) Detected at the headspace of the longissimus dorsi muscle of beef.
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).
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
2,3,3-trimethylpentane (CHEBI:143849) has role bacterial metabolite (CHEBI:76969)
2,3,3-trimethylpentane (CHEBI:143849) has role human metabolite (CHEBI:77746)
2,3,3-trimethylpentane (CHEBI:143849) has role mammalian metabolite (CHEBI:75768)
2,3,3-trimethylpentane (CHEBI:143849) is a alkane (CHEBI:18310)
2,3,3-trimethylpentane (CHEBI:143849) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
2,3,3-trimethylpentane
Manual XrefsDatabases
10742ChemSpider
2,3,3-TrimethylpentaneWikipedia
Registry NumbersSources
CAS:560-21-4ChemIDplus
CAS:560-21-4NIST Chemistry WebBook
Citations