Structure Database (LMSD)

Common Name
8Z,11Z,14Z-heptadecatrienal
Systematic Name
8Z,11Z,14Z-heptadecatrienal
Synonyms
LM ID
LMFA06000111
Formula
C17H28O
Exact Mass
Calculate m/z
248.214015
Sum Composition
FAL 17:3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
NIPNNUONNZABRE-PDBXOOCHSA-N
InChi (Click to copy)
InChI=1S/C17H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h3-4,6-7,9-10,17H,2,5,8,11-16H2,1H3/b4-3-,7-6-,10-9-
SMILES (Click to copy)
C(CCCCCC/C=C\C/C=C\C/C=C\CC)=O

References

Other Databases

KEGG ID
C16343
CHEBI ID
76151
PubChem CID
6430107
Cayman ID
10005154

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 12
Van der Waals Molecular Volume 300.89
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.38
Molar Refractivity 80.71

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Created at
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Updated at
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