Structure Database (LMSD)

Common Name
Pentan-1-ol
Systematic Name
Pentan-1-ol
Synonyms
LM ID
LMFA05000112
Formula
Exact Mass
Calculate m/z
88.088815
Sum Composition
Status
Active


Classification

Category
Main Class
Sub Class

Reactions

Filter by species:
Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
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Reactions graph legend

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
AMQJEAYHLZJPGS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
SMILES (Click to copy)
OCCCCC

Other Databases

Wikipedia
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
PDB ID

Calculated Physicochemical Properties

Heavy Atoms 6
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 103.85
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.45
Molar Refractivity 27.10

Admin

Created at
-
Updated at
25th Apr 2022