Structure Database (LMSD)

Common Name
9E,11E-Hexadecadienal
Systematic Name
9E,11E-Hexadecadienal
Synonyms
LM ID
LMFA06000195
Formula
C16H28O
Exact Mass
Calculate m/z
236.214015
Sum Composition
FAL 16:2
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)
YLYWMNJAJOQSGH-BSWSSELBSA-N
InChi (Click to copy)
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h5-8,16H,2-4,9-15H2,1H3/b6-5+,8-7+
SMILES (Click to copy)
C(CCCCCCC/C=C/C=C/CCCC)(=O)[H]

Other Databases

CHEBI ID
196154
PubChem CID
12017757

Calculated Physicochemical Properties

Heavy Atoms 17
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 286.23
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.22
Molar Refractivity 76.19

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Created at
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Updated at
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