Structure Database (LMSD)

Common Name
Butan-1-ol
Systematic Name
Butan-1-ol
Synonyms
LM ID
LMFA05000109
Formula
C4H10O
Exact Mass
Calculate m/z
74.073165
Sum Composition
FOH 4:0
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

Reactions

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ⓘ 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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ceratonia siliqua (#20340)
Magnoliopsida (#3398)
Oviposition stimulants of the mothEctomyelois ceratoniae: The effect of short-chain alcohols,
J Chem Ecol, 1975

String Representations

InChiKey (Click to copy)
LRHPLDYGYMQRHN-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
SMILES (Click to copy)
OCCCC

Other Databases

Wikipedia
Butan-1-ol
KEGG ID
C06142
HMDB ID
HMDB0004327
CHEBI ID
28885
PubChem CID
263
PDB ID
1BO

Calculated Physicochemical Properties

Heavy Atoms 5
Rings 0
Aromatic Rings 0
Rotatable Bonds 2
Van der Waals Molecular Volume 86.55
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.06
Molar Refractivity 22.48

Admin

Created at
-
Updated at
11th Dec 2024