Structure Database (LMSD)

Common Name
3R-hydroxy-eicosanoic acid
Systematic Name
3R-hydroxy-eicosanoic acid
Synonyms
  • Eicosanoic acid, 3-hydroxy-, (R)-
  • Eicosanoic acid, 3-hydroxy-, D-(-)-
LM ID
LMFA01050255
Formula
C20H40O3
Exact Mass
Calculate m/z
328.297745
Sum Composition
FA 20:0;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

String Representations

InChiKey (Click to copy)
XXKHCFPQYSMGCI-LJQANCHMSA-N
InChi (Click to copy)
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)/t19-/m1/s1
SMILES (Click to copy)
C(C[C@H](O)CCCCCCCCCCCCCCCCC)(=O)O

Other Databases

LIPIDAT ID
4618
PubChem CID
5312808

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 18
Van der Waals Molecular Volume 378.29
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 6.37
Molar Refractivity 98.32

Admin

Created at
-
Updated at
14th Oct 2024