CHEBI:88373 - 3-methylpentane

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ChEBI Name 3-methylpentane
ChEBI ID CHEBI:88373
Definition An alkane that is pentane which is substituted by a methyl group at position 3. It is used as a solvent in organic synthesis, as a lubricant and as a raw material for producing carbon black.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C6H14
Net Charge 0
Average Mass 86.178
Monoisotopic Mass 86.10955
InChI InChI=1S/C6H14/c1-4-6(3)5-2/h6H,4-5H2,1-3H3
InChIKey PFEOZHBOMNWTJB-UHFFFAOYSA-N
SMILES CCC(C)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Roles Classification
Chemical Role(s): non-polar solvent

Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
allelochemical
A class of secondary metabolites developed by many plants to influence the behaviour, growth or survival of herbivores, and thus acting as a defence against herbivory.
Application(s): non-polar solvent

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ChEBI Ontology
Outgoing 3-methylpentane (CHEBI:88373) has role allelochemical (CHEBI:62215)
3-methylpentane (CHEBI:88373) has role human metabolite (CHEBI:77746)
3-methylpentane (CHEBI:88373) has role non-polar solvent (CHEBI:48355)
3-methylpentane (CHEBI:88373) is a alkane (CHEBI:18310)
3-methylpentane (CHEBI:88373) is a volatile organic compound (CHEBI:134179)
IUPAC Name
3-methylpentane
Synonyms Sources
3-methyl-pentane HMDB
3-Methylpentan ChEBI
3-méthylpentane ChEBI
diethylmethylmethane ChemIDplus
Manual Xrefs Databases
3-Methylpentane Wikipedia
7010 ChemSpider
HMDB0061885 HMDB
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Registry Numbers Types Sources
1730734 Reaxys Registry Number Reaxys
96-14-0 CAS Registry Number NIST Chemistry WebBook
96-14-0 CAS Registry Number ChemIDplus
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Last Modified
19 February 2021