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> Main
CHEBI:139062 - 3-ethyl-2,7-dimethyloctane
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ChEBI Name
3-ethyl-2,7-dimethyloctane
ChEBI ID
CHEBI:139062
Definition
An alkane that is octane substituted by an ethyl group at position 3 and by methyl groups at positions 2 and 7. It is a urinary sex pheromone found in male mice.
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This entity has been manually annotated by the ChEBI Team.
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Molfile
Formula
C12H26
Net Charge
0
Average Mass
170.340
Monoisotopic Mass
170.20345
InChI
InChI=1S/C12H26/c1-6-12(11(4)5)9-7-8-10(2)3/h10-12H,6-9H2,1-5H3
InChIKey
XEMFRSYZKNPRTA-UHFFFAOYSA-N
SMILES
CCC(CCCC(C)C)C(C)C
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Biological Role
(s):
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
pheromone
A semiochemical used in olfactory communication between organisms of the same species eliciting a change in sexual or social behaviour.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-ethyl-2,7-dimethyloctane (
CHEBI:139062
)
has role
mouse metabolite (
CHEBI:75771
)
3-ethyl-2,7-dimethyloctane (
CHEBI:139062
)
has role
pheromone (
CHEBI:26013
)
3-ethyl-2,7-dimethyloctane (
CHEBI:139062
)
is a
alkane (
CHEBI:18310
)
3-ethyl-2,7-dimethyloctane (
CHEBI:139062
)
is a
volatile organic compound (
CHEBI:134179
)
IUPAC Name
3-ethyl-2,7-dimethyloctane
Synonym
Source
3-ethyl-2,7-dimethyl octane
NIST Chemistry WebBook
Manual Xref
Database
467989
ChemSpider
View more database links
Registry Number
Type
Source
62183-55-5
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
12571373
PubMed citation
Europe PMC
15885448
PubMed citation
Europe PMC
Last Modified
28 February 2024