Structure Database (LMSD)

Common Name
3E-Hexen-1-ol
Systematic Name
3E-Hexen-1-ol
Synonyms
LM ID
LMFA05000113
Formula
C6H12O
Exact Mass
Calculate m/z
100.088815
Sum Composition
FOH 6:1
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

String Representations

InChiKey (Click to copy)
UFLHIIWVXFIJGU-ONEGZZNKSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
SMILES (Click to copy)
OCC/C=C/CC

Other Databases

CHEBI ID
147326
PubChem CID
5284503

Calculated Physicochemical Properties

Heavy Atoms 7
Rings 0
Aromatic Rings 0
Rotatable Bonds 3
Van der Waals Molecular Volume 118.51
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 1.62
Molar Refractivity 31.62

Admin

Created at
-
Updated at
25th Apr 2022