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CHEBI:84242 - 3,7-dimethyl-3-octanol
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ChEBI Name
3,7-dimethyl-3-octanol
ChEBI ID
CHEBI:84242
Definition
A fatty alcohol that is 3-octanol substituted by methyl groups at positions 3 and 7. Metabolite observed in cancer metabolism.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C10H22O
Net Charge
0
Average Mass
158.28110
Monoisotopic Mass
158.16707
InChI
InChI=1S/C10H22O/c1-5-10(4,11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChIKey
DLHQZZUEERVIGQ-UHFFFAOYSA-N
SMILES
CCC(C)(O)CCCC(C)C
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
3,7-dimethyl-3-octanol (
CHEBI:84242
)
has role
human metabolite (
CHEBI:77746
)
3,7-dimethyl-3-octanol (
CHEBI:84242
)
is a
alkyl alcohol (
CHEBI:50584
)
3,7-dimethyl-3-octanol (
CHEBI:84242
)
is a
medium-chain fatty alcohol (
CHEBI:197506
)
3,7-dimethyl-3-octanol (
CHEBI:84242
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Names
3,7-dimethyloctan-3-ol
tetrahydrolinalool
Registry Numbers
Types
Sources
1719622
Reaxys Registry Number
Reaxys
78-69-3
CAS Registry Number
ChemIDplus
Citation
Type
Source
25518943
PubMed citation
Europe PMC
Last Modified
25 October 2023