Structure Database (LMSD)

OH O OH
Common Name
3R-HETE
Systematic Name
3R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid
Synonyms
LM ID
LMFA03060023
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)
HVJLGJXEWCPPDB-VXFQMENQSA-N
InChi (Click to copy)
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(21)18-20(22)23/h6-7,9-10,12-13,15-16,19,21H,2-5,8,11,14,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-15-/t19-/m1/s1
SMILES (Click to copy)
C(/C/C=C\C/C=C\CCCCC)=C/C/C=C\C[C@@H](O)CC(=O)O

References

Other Databases

CHEBI ID
165280
LIPIDBANK ID
DFA8127
PubChem CID
5283164

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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