Structure Database (LMSD)

O OH OH
Common Name
3-hydroxy-eicosanoic acid
Systematic Name
3-hydroxy-eicosanoic acid
Synonyms
LM ID
LMFA01050074
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)
XXKHCFPQYSMGCI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h19,21H,2-18H2,1H3,(H,22,23)
SMILES (Click to copy)
C(CCCCCCCCCC)CCCCCCC(O)CC(=O)O

References

Other Databases

HMDB ID
HMDB0062566
CHEBI ID
52347
LIPIDBANK ID
DFA0340
PubChem CID
5282918
SwissLipids ID
SLM:000000824

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

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Created at
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Updated at
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