Structure Database (LMSD)
Common Name
3-hydroxy-undecanoic acid
Systematic Name
3-hydroxy-undecanoic acid
Synonyms
3D model of 3-hydroxy-undecanoic 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 Undecanoic acid is a hydroxylated fatty acid that has been found in S. algae, LPS extracted from clinical isolates of B. catarrhalis, and methyl-branched poly(3-hydroxyalkanoate) (PHA) polymers produced by P. flava isolated from oil-contaminated soil.1,2,3 It inhibits sodium current in axons dissected from mantles of giant squid (D. bleekeri) with an ED50 value of 0.46 mM.4 [Matreya, LLC. Catalog No. 1729]
This information has been provided by Cayman Chemical
References
2. Lin, H., Shi, W., Wu, Q., et al. Biosynthesis pathway related production of medium chain length polyhydroxyalkanoates. Tsinghua Sci. Technol. 6(3), 222-224 (2001).
4. He, M., Guo, Q.-Y., Song, W., et al. Inhibitory effects of chitosan combined with nisin on Shewanella spp. isolated from Pseudosciaena crocea. Food Control 79, 349-355 (2017).
String Representations
InChiKey (Click to copy)
FARPMBPKLYEDIL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C11H22O3/c1-2-3-4-5-6-7-8-10(12)9-11(13)14/h10,12H,2-9H2,1H3,(H,13,14)
SMILES (Click to copy)
C(CC(O)CCCCCCCC)(=O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
14
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
222.59
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
2.86
Molar Refractivity
56.76
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Updated at
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