Structure Database (LMSD)

Common Name
3Z,6E,8E-Dodecatrien-1-ol
Systematic Name
3Z,6E,8E-Dodecatrien-1-ol
Synonyms
LM ID
LMFA05000162
Formula
C12H20O
Exact Mass
Calculate m/z
180.151415
Sum Composition
FOH 12:3
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
Coptotermes formosanus (#36987)
Insecta (#50557)
(Z,E,E)-dodecatrien-1-ol: A minor component of trail pheromone of termite,Coptotermes formosanus Shiraki.,
J Chem Ecol, 1994
Pubmed ID: 24241709

String Representations

InChiKey (Click to copy)
KWVQYNPBWXUHHT-QSOMBXJKSA-N
InChi (Click to copy)
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-7,9-10,13H,2-3,8,11-12H2,1H3/b5-4+,7-6+,10-9-
SMILES (Click to copy)
OCC/C=C\C/C=C/C=C/CCC

Other Databases

CHEBI ID
192950
PubChem CID
10976097

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 7
Van der Waals Molecular Volume 217.03
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.51
Molar Refractivity 59.14

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Created at
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Updated at
19th Dec 2024