Structure Database (LMSD)

Common Name
2S-hydroxypalmitic acid
Systematic Name
2S-hydroxyhexadecanoic acid
Synonyms
  • (S)-2OH PA
LM ID
LMFA01050422
Formula
C16H32O3
Exact Mass
Calculate m/z
272.235145
Sum Composition
FA 16:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
JGHSBPIZNUXPLA-HNNXBMFYSA-N
InChi (Click to copy)
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
SMILES (Click to copy)
C(CCCCCCCCCCCCC)[C@H](O)C(=O)O

References

Reference
Stereospecificity of fatty acid 2-hydroxylase and differential functions of 2-hydroxy fatty acid enantiomers
Lin Guo, Xu Zhang, Dequan Zhou, Adewole L. Okunade, and Xiong Su
J. Lipid Res. 2012 53:(7) 1327-1335

Other Databases

CHEBI ID
75977
PubChem CID
12575964
SwissLipids ID
SLM:000000520

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 309.09
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 4.81
Molar Refractivity 79.85

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Updated at
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