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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:179170 - heptan-3-ol
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ChEBI Name
heptan-3-ol
ChEBI ID
CHEBI:179170
Definition
A secondary alcohol that is heptane substituted by a hydroxy group at position 3.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C7H16O
Net Charge
0
Average Mass
116.204
Monoisotopic Mass
116.12012
InChI
InChI=1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3
InChIKey
RZKSECIXORKHQS-UHFFFAOYSA-N
SMILES
CCCCC(O)CC
Metabolite of Species
Details
Coffea arabica
(NCBI:txid13443)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
heptan-3-ol (
CHEBI:179170
)
has role
plant metabolite (
CHEBI:76924
)
heptan-3-ol (
CHEBI:179170
)
is a
heptanol (
CHEBI:195607
)
heptan-3-ol (
CHEBI:179170
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
heptan-3-ol
Synonyms
Sources
1-ethyl-1-pentanol
NIST Chemistry WebBook
3-heptanol
NIST Chemistry WebBook
3-heptyl alcohol
ChEBI
3-hydroxyheptane
NIST Chemistry WebBook
butyl ethyl carbinol
ChEBI
butylethylcarbinol
ChEBI
ethyl-
n
-butylcarbinol
NIST Chemistry WebBook
ethylbutylcarbinol
NIST Chemistry WebBook
heptanol-3
NIST Chemistry WebBook
n
-heptan-3-ol
NIST Chemistry WebBook
Manual Xrefs
Databases
11036
ChemSpider
3-Heptanol
Wikipedia
HMDB0031481
HMDB
LMFA05000483
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1719067
Reaxys Registry Number
Reaxys
589-82-2
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
33009700
PubMed citation
Europe PMC
35685183
PubMed citation
Europe PMC
36553690
PubMed citation
Europe PMC
37306945
PubMed citation
Europe PMC
Last Modified
24 October 2023