Structure Database (LMSD)

Common Name
9,12-Octadecadien-1-ol
Systematic Name
9,12-Octadecadien-1-ol
Synonyms
LM ID
LMFA05000217
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
Sum Composition
FOH 18:2
Status
Active
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

String Representations

InChiKey (Click to copy)
JXNPEDYJTDQORS-AVQMFFATSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10,19H,2-5,8,11-18H2,1H3/b7-6+,10-9+
SMILES (Click to copy)
OCCCCCCCC/C=C/C/C=C/CCCCC

Other Databases

PubChem CID
5462912
SwissLipids ID
SLM:000000212

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.08
Molar Refractivity 86.93

Admin

Created at
-
Updated at
25th Apr 2022