2,3,3-trimethylpentane (CHEBI:143849)

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ChEBI Name	2,3,3-trimethylpentane

ChEBI ID	CHEBI:143849

Definition	A branched alkane that is pentane carrying one methyl group at positions 2, and two methyl groups at position 3.

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

Submitter	Mark Williams

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Formula

C8H18

Net Charge

Average Mass

114.232

Monoisotopic Mass

114.14085

InChI

InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3

InChIKey

OKVWYBALHQFVFP-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Bacillus megaterium (NCBI:txid1404)	of strain Mes11 See: PubMed
Pseudomonas fluorescens (NCBI:txid294)	of strain SG-1 See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed
Bos taurus (NCBI:txid9913)	Detected at the headspace of the longissimus dorsi muscle of beef. See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. mammalian metabolite Any animal metabolite produced during a metabolic reaction in mammals.

ChEBI Ontology
Outgoing	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

Last Modified

04 June 2019