Structure Database (LMSD)

OH OH O
Common Name
18-hydroxy-arachidonic acid
Systematic Name
18R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060093
Formula
C20H32O3
Exact Mass
Calculate m/z
320.235145
Sum Composition
FA 20:4;O
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Hydroxy/hydroperoxyeicosatetraenoic acids [FA0306]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
PPCHNRUZQWLEMF-LFFPGIGVSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-/t19-/m1/s1
SMILES (Click to copy)
C(O)(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CC[C@H](O)CC

References

Other Databases

HMDB ID
HMDB0006245
CHEBI ID
91132
PubChem CID
11141754
SwissLipids ID
SLM:000501232

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 367.73
Topological Polar Surface Area 57.53
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 3
logP 5.47
Molar Refractivity 97.94

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Created at
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Updated at
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