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CHEBI:141558 - 2,4-dimethylheptane
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ChEBI Ontology
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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An alkane that is heptane in which a hydrogen has been replaced by a methyl group at positions 2 and 4.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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Molfile
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.
View more via ChEBI Ontology
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
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