Structure Database (LMSD)

Common Name
6Z-Heneicosen-11-ol
Systematic Name
6Z-Heneicosen-11-ol
Synonyms
  • (Z)-6-Heneicosen-11-ol
LM ID
LMFA05000535
Formula
C21H42O
Exact Mass
Calculate m/z
310.323565
Sum Composition
FOH 21:1
Status
Active
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 Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Orgyia vetusta (#335474)
Insecta (#50557)
(Z,E)-6,8-heneicosadien-11-one: major sex-pheromone component of Orgyia vetusta (Lepidoptera: Lymantriidae),
Can Entomol, 2005

String Representations

InChiKey (Click to copy)
KQFXZKMDZTUIAI-QBFSEMIESA-N
InChi (Click to copy)
InChI=1S/C21H42O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,21-22H,3-10,12,14-20H2,1-2H3/b13-11-
SMILES (Click to copy)
CCCCC/C=C\CCCC(O)CCCCCCCCCC

Other Databases

CHEBI ID
179410
PubChem CID
13883615

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 17
Van der Waals Molecular Volume 378.01
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.47
Molar Refractivity 100.88

Admin

Created at
-
Updated at
25th Apr 2022