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CHEBI:165735 - 2,3,4-trimethylpentane

ChEBI IDCHEBI:165735
ChEBI Name2,3,4-trimethylpentane
Stars
DefinitionAn alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline.
Last Modified18 February 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H18
Net Charge0
Average Mass114.232
Monoisotopic Mass114.14085
SMILESCC(C)C(C)C(C)C
InChIInChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3
InChIKeyRLPGDEORIPLBNF-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) - DOI (10.1016/j.meatsci.2004.12.003) Found in cooked beef.
Roles Classification
Biological Roles:
nephrotoxic agent  A role played by any chemical compound (natural or synthetic) exhibiting itself through the ability to induce damage to the kidneys.
mammalian metabolite  Any animal metabolite produced during a metabolic reaction in mammals.
ChEBI Ontology
Outgoing Relation(s)
2,3,4-trimethylpentane (CHEBI:165735) has role mammalian metabolite (CHEBI:75768)
2,3,4-trimethylpentane (CHEBI:165735) has role nephrotoxic agent (CHEBI:50909)
2,3,4-trimethylpentane (CHEBI:165735) is a alkane (CHEBI:18310)
2,3,4-trimethylpentane (CHEBI:165735) is a volatile organic compound (CHEBI:134179)
IUPAC Name 
2,3,4-trimethylpentane
Synonyms  Source
2,3,4-trimethyl-pentaneLIPID MAPS
2,3,4-TMPChEBI
Manual XrefsDatabases
LMFA11000711LIPID MAPS
10795ChemSpider
2,3,4-TrimethylpentaneWikipedia
Registry NumbersSources
Reaxys:1696869Reaxys
CAS:565-75-3ChemIDplus
CAS:565-75-3NIST Chemistry WebBook
Citations