Structure Database (LMSD)

Common Name
9,12-Octadecadien-1-ol
Systematic Name
9E,12E-Octadecadien-1-ol
Synonyms
LM ID
LMFA05000217
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
Sum Composition
FOH 18:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Reactions

Filter by species:
ⓘ 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.
Click on an edge to display the reaction(s).
Reactions graph legend

References

Comments
Pherobase

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bombus magnus (#218856)
Insecta (#50557)
Male labial gland secretions and mitochondrial DNA markers support species status of Bombus cryptarum and B. magnus (Hymenoptera, Apidae),
Insectes Sociaux, 2005

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
28th Nov 2024