Structure Database (LMSD)

OH O OH
Common Name
11R-hydroxy-dodecanoic acid
Systematic Name
11R-hydroxy-dodecanoic acid
Synonyms
  • Dodecanoic acid, 11-hydroxy-, (R)-
LM ID
LMFA01050253
Formula
C12H24O3
Exact Mass
Calculate m/z
216.172545
Sum Composition
FA 12:0;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)
KQGAHNAFXMVSGY-LLVKDONJSA-N
InChi (Click to copy)
InChI=1S/C12H24O3/c1-11(13)9-7-5-3-2-4-6-8-10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15)/t11-/m1/s1
SMILES (Click to copy)
C(CCCCCCCCC[C@H](O)C)(=O)O

References

Other Databases

LIPIDAT ID
4603
CHEBI ID
78978
PubChem CID
5312806
SwissLipids ID
SLM:000389678

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 239.89
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 3.25
Molar Refractivity 61.38

Admin

Created at
-
Updated at
-