Structure Database (LMSD)

O HO OH
Common Name
20-hydroxy-eicosanoic acid
Systematic Name
20-hydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050075
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)
JLDIWYKSFMPIDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h21H,1-19H2,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCCO)CCCCCCCCC(=O)O

References

Other Databases

CHEBI ID
79190
LIPIDBANK ID
DFA0341
PubChem CID
5282919
Cayman ID
24652

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 19
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

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Created at
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Updated at
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