Structure Database (LMSD)

Common Name
1-Hexen-1-ol
Systematic Name
1-Hexen-1-ol
Synonyms
LM ID
LMFA05000116
Formula
C6H12O
Exact Mass
Calculate m/z
100.088815
Sum Composition
FOH 6:1
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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
Eurycotis decipiens (#2093437)
Insecta (#50557)
Allomonal secretions in cockroaches.,
J Chem Ecol, 1983
Pubmed ID: 24408627

String Representations

InChiKey (Click to copy)
JHEPBQHNVNUAFL-AATRIKPKSA-N
InChi (Click to copy)
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5+
SMILES (Click to copy)
O/C=C/CCCC

Other Databases

CHEBI ID
195649
PubChem CID
11320910

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 2.25
Molar Refractivity 31.29

Admin

Created at
-
Updated at
27th Dec 2024