Structure Database (LMSD)

Common Name
9-octadecenal
Systematic Name
9-octadecenal
Synonyms
LM ID
LMFA06000099
Formula
C18H34O
Exact Mass
Calculate m/z
266.260965
Sum Composition
FAL 18:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
ZENZJGDPWWLORF-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,18H,2-8,11-17H2,1H3/b10-9+
SMILES (Click to copy)
C(/CCCCCCCC)=C\CCCCCCCC([H])=O

Other Databases

HMDB ID
HMDB0030965
CHEBI ID
173892
PubChem CID
5283381

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 15
Van der Waals Molecular Volume 323.47
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 6.22
Molar Refractivity 85.52

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Created at
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Updated at
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