Structure Database (LMSD)

O
Common Name
8-Heptadecenal
Systematic Name
(8E)-heptadec-8-enal
Synonyms
LM ID
LMFA06000259
Formula
C17H32O
Exact Mass
Calculate m/z
252.245315
Sum Composition
FAL 17:1
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)
UZXKSNXOPFPOKK-MDZDMXLPSA-N
InChi (Click to copy)
InChI=1S/C17H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h9-10,17H,2-8,11-16H2,1H3/b10-9+
SMILES (Click to copy)
CCCCCCCC/C=C/CCCCCCC=O

References

Other Databases

HMDB ID
HMDB0041335
CHEBI ID
178111
PubChem CID
14543489

Calculated Physicochemical Properties

Heavy Atoms 18
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 306.17
Topological Polar Surface Area 17.07
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 1
logP 5.83
Molar Refractivity 80.90

Admin

Created at
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Updated at
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