Structure Database (LMSD)
Common Name
(R)-10-hydroxystearic acid
Systematic Name
10R-hydroxyoctadecanoic acid
Synonyms
- (R)-10-Hydroxystearate
3D model of (R)-10-hydroxystearic 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
10(R)-hydroxy Stearic acid is a hydroxy fatty acid and hydroxylation product of oleic acid formed by gut microbiota.1,2
This information has been provided by Cayman Chemical
References
1. Prem, S., Helmer, C.P.O., Dimos, N., et al. Towards an understanding of oleate hydratases and their application in industrial processes. Microb. Cell Fact. 21(1), 58 (2022).
2. Serra, S., and De Simeis, D. Use of Lactobacillus rhamnosus (ATCC 53103) as whole-cell biocatalyst for the regio- and stereoselective hydration of oleic, linoleic, and linolenic acid. Catalysts 8(3), 109 (2018).
String Representations
InChiKey (Click to copy)
PAZZVPKITDJCPV-QGZVFWFLSA-N
InChi (Click to copy)
InChI=1S/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCCCCCCC[C@H](O)CCCCCCCC
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
343.69
Topological Polar Surface Area
57.53
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
3
logP
5.59
Molar Refractivity
89.08
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