Structure Database (LMSD)

Common Name
6E-Dodecen-1-ol
Systematic Name
6E-Dodecen-1-ol
Synonyms
LM ID
LMFA05000147
Formula
C12H24O
Exact Mass
Calculate m/z
184.182715
Sum Composition
FOH 12:1
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
Gelechiidae (#32434)
Insecta (#50557)
Identification of Δ6-unsaturated, monoenyl type I pheromone compounds from the cashew stem borer Anthistarcha binocularis (Lepidoptera: Gelechiidae).,
Pest Manag Sci, 2020
Pubmed ID: 31639267

String Representations

InChiKey (Click to copy)
IENBWMQKVZLORT-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h6-7,13H,2-5,8-12H2,1H3/b7-6+
SMILES (Click to copy)
OCCCCC/C=C/CCCCC

Other Databases

CHEBI ID
186686
PubChem CID
5364619

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 0
Aromatic Rings 0
Rotatable Bonds 9
Van der Waals Molecular Volume 222.31
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 3.96
Molar Refractivity 59.33

Admin

Created at
-
Updated at
11th Dec 2024