2,3,4-trimethylpentane (CHEBI:165735)

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ChEBI Name	2,3,4-trimethylpentane

ChEBI ID	CHEBI:165735

Definition	An alkane that is pentane substituted by a methyl group at positions 2,3 and 4. It is a constituent of gasoline.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	MetaboLights

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Formula

C8H18

Net Charge

Average Mass

114.232

Monoisotopic Mass

114.14085

InChI

InChI=1S/C8H18/c1-6(2)8(5)7(3)4/h6-8H,1-5H3

InChIKey

RLPGDEORIPLBNF-UHFFFAOYSA-N

SMILES

CC(C)C(C)C(C)C

Metabolite of Species	Details
Bos taurus (NCBI:txid9913)	Found in cooked beef. See: DOI

Roles Classification
Biological Role(s):	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	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

Last Modified

18 February 2021