Structure Database (LMSD)
Common Name
3-hydroxy-tridecanoic acid
Systematic Name
3-hydroxy-tridecanoic acid
Synonyms
3D model of 3-hydroxy-tridecanoic acid
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
Biological Context
3-hydroxy Tridecanoic acid is a 13-carbon saturated fatty acid found in bacterial lipopolysaccharides (LPS).1,2 It can be used as an internal standard to detect markers of microorganisms in complex samples, including 3-hydroxy fatty acids found in LPS-containing bacteria and muramic acid found in bacterial cell wall peptidoglycan.3 [Matreya, LLC. Catalog No. 1733]
This information has been provided by Cayman Chemical
References
2. Bishop, D.G., Hewett, M.J., and Knox, K.W. Occurrence of 3-hydroxytridecanoic and 3-hydroxypentadecanoic acids in the lipopolysaccharides of Veillonella. Biochim. Biophys. Acta 16;231(2), 274-276 (1971).
String Representations
InChiKey (Click to copy)
CWSNHZHHWHLJIM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-12(14)11-13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
SMILES (Click to copy)
C(CC(O)CCCCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
16
Rings
0
Aromatic Rings
0
Rotatable Bonds
11
Van der Waals Molecular Volume
257.19
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
3.64
Molar Refractivity
66.00
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Updated at
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