Structure Database (LMSD)

Common Name
3Z,6Z-Dodecadien-1-ol
Systematic Name
3Z,6Z-Dodecadien-1-ol
Synonyms
LM ID
LMFA05000163
Formula
C12H22O
Exact Mass
Calculate m/z
182.167065
Sum Composition
FOH 12:2
Status
Curated
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

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Ancistrotermes pakistanicus (#229719)
Insecta (#50557)
A new C12 alcohol identified as a sex pheromone and a trail-following pheromone in termites: the diene (Z,Z)-dodeca-3,6-dien-1-ol.,
Naturwissenschaften, 2004
Pubmed ID: 14740102

String Representations

InChiKey (Click to copy)
WVTVMLXNKUWGBH-HZJYTTRNSA-N
InChi (Click to copy)
InChI=1S/C12H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,9-10,13H,2-5,8,11-12H2,1H3/b7-6-,10-9-
SMILES (Click to copy)
OCC/C=C\C/C=C\CCCCC

Other Databases

PubChem CID
10976130

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 8
Van der Waals Molecular Volume 219.67
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.74
Molar Refractivity 59.23

Admin

Created at
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Updated at
19th Dec 2024