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CHEBI:84243 - 3,8-dimethylundecane
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ChEBI Ontology
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ChEBI Name
3,8-dimethylundecane
ChEBI ID
CHEBI:84243
Definition
An alkane that is undecane substituted by methyl groups at positions 3 and 8. Metabolite observed in cancer metabolism.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C13H28
Net Charge
0
Average Mass
184.36140
Monoisotopic Mass
184.21910
InChI
InChI=1S/C13H28/c1-5-9-13(4)11-8-7-10-12(3)6-2/h12-13H,5-11H2,1-4H3
InChIKey
WOGVWUCXENBLIV-UHFFFAOYSA-N
SMILES
CCCC(C)CCCCC(C)CC
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Metabolite observed in cancer metabolism. See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3,8-dimethylundecane (
CHEBI:84243
)
has parent hydride
undecane (
CHEBI:46342
)
3,8-dimethylundecane (
CHEBI:84243
)
has role
human metabolite (
CHEBI:77746
)
3,8-dimethylundecane (
CHEBI:84243
)
is a
alkane (
CHEBI:18310
)
IUPAC Name
3,8-dimethylundecane
Registry Number
Type
Source
10336788
Reaxys Registry Number
Reaxys
Citation
Type
Source
25518943
PubMed citation
Europe PMC
Last Modified
14 January 2015