Structure Database (LMSD)

O
Common Name
trans-4S,5S-Epoxy-6Z,9Z-nonadecadiene
Systematic Name
trans-4S,5S-Epoxy-6Z,9Z-nonadecadiene
Synonyms
LM ID
LMFA12000301
Formula
C19H34O
Exact Mass
Calculate m/z
278.260965
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Oxygenated hydrocarbons [FA12]

String Representations

InChiKey (Click to copy)
XITUWYPEDNZLOT-HKGUKXKYSA-N
InChi (Click to copy)
InChI=1S/C19H34O/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-19-18(20-19)16-4-2/h12-13,15,17-19H,3-11,14,16H2,1-2H3/b13-12-,17-15-/t18-,19-/m0/s1
SMILES (Click to copy)
CCC[C@@H]1O[C@H]1/C=C\C/C=C\CCCCCCCCC

References

Comments
Pherobase Semiochemicals

Other Databases

CHEBI ID
179593
PubChem CID
11022252

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 1
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 328.41
Topological Polar Surface Area 12.53
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.77
Molar Refractivity 90.10

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Created at
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Updated at
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