Structure Database (LMSD)

Common Name
6Z,9Z-Heneicosadien-11S-ol
Systematic Name
6Z,9Z-Heneicosadien-11S-ol
Synonyms
  • (11S)-(Z,Z)-6,9-Heneicosadien-11-ol
LM ID
LMFA05000534
Formula
C21H40O
Exact Mass
Calculate m/z
308.307916
Sum Composition
FOH 21:2
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Comments
Pherobase Semiochemicals

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Orgyia detrita (#2013388)
Insecta (#50557)
Enantiomers of (Z,Z)-6,9-heneicosadien-11-ol: sex pheromone components of Orgyia detrita.,
J Chem Ecol, 2003
Pubmed ID: 14682506

String Representations

InChiKey (Click to copy)
DMDZJDJIGNDJQK-VYMGMAARSA-N
InChi (Click to copy)
InChI=1S/C21H40O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22H,3-10,12,14-16,18,20H2,1-2H3/b13-11-,19-17-/t21-/m1/s1
SMILES (Click to copy)
CCCCCCCCCC[C@H](O)/C=C\C/C=C\CCCCC

Other Databases

CHEBI ID
187630
PubChem CID
56935899

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 375.37
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 7.25
Molar Refractivity 100.78

Admin

Created at
-
Updated at
31st Dec 2024