Structure Database (LMSD)

Common Name
3E,6Z-Heneicosadien-11-one
Systematic Name
3E,6Z-Heneicosadien-11-one
Synonyms
LM ID
LMFA12000213
Formula
C21H38O
Exact Mass
Calculate m/z
306.292265
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)
UIMRPVYHIYCVPM-CZQYEKOJSA-N
InChi (Click to copy)
InChI=1S/C21H38O/c1-3-5-7-9-11-13-15-17-19-21(22)20-18-16-14-12-10-8-6-4-2/h5,7,11,13H,3-4,6,8-10,12,14-20H2,1-2H3/b7-5+,13-11-
SMILES (Click to copy)
CC/C=C/C/C=C\CCCC(=O)CCCCCCCCCC

References

Other Databases

CHEBI ID
188249
PubChem CID
56936227

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 0
Aromatic Rings 0
Rotatable Bonds 16
Van der Waals Molecular Volume 372.73
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 7.17
Molar Refractivity 99.27

Admin

Created at
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Updated at
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