Structure Database (LMSD)

Common Name
13Z-Octadecen-1-ol
Systematic Name
13Z-Octadecen-1-ol
Synonyms
LM ID
LMFA05000212
Formula
C18H36O
Exact Mass
Calculate m/z
268.276616
Sum Composition
FOH 18:1
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
Chilo sacchariphagus (#236793)
Insecta (#50557)
Components of the sex pheromone of the female sugar cane borer,Chilo sacchariphagus (Bojer) (Lepidoptera: Pyralidae),
J Chem Ecol, 1980

String Representations

InChiKey (Click to copy)
XHJRPRSNHKNGLW-WAYWQWQTSA-N
InChi (Click to copy)
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h5-6,19H,2-4,7-18H2,1H3/b6-5-
SMILES (Click to copy)
OCCCCCCCCCCCC/C=C\CCCC

Other Databases

CHEBI ID
78805
PubChem CID
6440428
SwissLipids ID
SLM:000001247

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 326.11
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 6.30
Molar Refractivity 87.03

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Created at
-
Updated at
11th Dec 2024