CHEBI:141558 - 2,4-dimethylheptane

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ChEBI Name 2,4-dimethylheptane
ChEBI ID CHEBI:141558
Definition An alkane that is heptane in which a hydrogen has been replaced by a methyl group at positions 2 and 4.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C9H20
Net Charge 0
Average Mass 128.255
Monoisotopic Mass 128.15650
InChI InChI=1S/C9H20/c1-5-6-9(4)7-8(2)3/h8-9H,5-7H2,1-4H3
InChIKey AUKVIBNBLXQNIZ-UHFFFAOYSA-N
SMILES C(CC(C)C)(CCC)C
Roles Classification
Biological Role(s): fungal metabolite
Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds.
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ChEBI Ontology
Outgoing 2,4-dimethylheptane (CHEBI:141558) has role fungal metabolite (CHEBI:76946)
2,4-dimethylheptane (CHEBI:141558) is a alkane (CHEBI:18310)
2,4-dimethylheptane (CHEBI:141558) is a volatile organic compound (CHEBI:134179)
IUPAC Name
2,4-dimethylheptane
Registry Numbers Types Sources
2213-23-2 CAS Registry Number NIST Chemistry WebBook
2213-23-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19025629 PubMed citation Europe PMC
19743389 PubMed citation Europe PMC
21386193 PubMed citation Europe PMC
27392938 PubMed citation Europe PMC
28507202 PubMed citation Europe PMC
Last Modified
11 August 2018