Structure Database (LMSD)

O OH OH
Common Name
2-hydroxy-eicosanoic acid
Systematic Name
2-hydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050073
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

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)
CPLYLXYEVLGWFJ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCC)CCCCCCCC(O)C(=O)O

References

Other Databases

HMDB ID
HMDB0061659
CHEBI ID
76992
LIPIDBANK ID
DFA0339
PubChem CID
5225199
SwissLipids ID
SLM:000000833
Cayman ID
24592

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
-