Structure Database (LMSD)
Common Name
Palmitaldehyde
Systematic Name
hexadecanal
Synonyms
- Palmitic aldehyde
3D model of Palmitaldehyde
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Hexadecanal is the 16-carbon free fatty aldehyde analog of palmitic acid that, in conjunction with NAD+, acts as a substrate for hexadecanal:NAD+ oxidoreductase (fatty aldehyde dehydrogenase).1
This information has been provided by Cayman Chemical
References
1. Rizzo, W.B., and Craft, D.A. Sjögren-Larsson syndrome. Deficient activity of the fatty aldehyde dehydrogenase component of fatty alcohol:NAD+ oxidoreductase in cultured fibroblasts. J. Clin. Invest. 88(5), 1643-1648 (1991).
String Representations
InChiKey (Click to copy)
NIOYUNMRJMEDGI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
SMILES (Click to copy)
C(CCCCCC)CCCCCCCCC([H])=O
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
Cayman ID
GuidePharm ID
Calculated Physicochemical Properties
Heavy Atoms
17
Rings
0
Aromatic Rings
0
Rotatable Bonds
14
Van der Waals Molecular Volume
291.51
Topological Polar Surface Area
17.07
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
1
logP
5.67
Molar Refractivity
76.38
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