Structure Database (LMSD)

Common Name
4E,9Z-Tetradecadienal
Systematic Name
4E,9Z-Tetradecadienal
Synonyms
LM ID
LMFA06000174
Formula
C14H24O
Exact Mass
Calculate m/z
208.182715
Sum Composition
FAL 14:2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty aldehydes [FA06]

References

Comments
Pherobase

String Representations

InChiKey (Click to copy)
SKBKGBGBUQMBNN-GWZUCBFCSA-N
InChi (Click to copy)
InChI=1S/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3/b6-5-,11-10+
SMILES (Click to copy)
C(CC/C=C/CCC/C=C\CCCC)(=O)[H]

Other Databases

CHEBI ID
191899
PubChem CID
15486065

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 251.63
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 4.44
Molar Refractivity 66.95

Admin

Created at
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Updated at
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