Structure Database (LMSD)

OH OH O OH
Common Name
18S-Resolvin E2
Systematic Name
5S,18S-dihydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
Synonyms
  • 18S-RvE2
LM ID
LMFA03140004
Formula
C20H30O4
Exact Mass
Calculate m/z
334.21441
Sum Composition
FA 20:5;O2
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Resolvin Es [FA0314]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
KPRHYAOSTOHNQA-SFHVADPASA-N
InChi (Click to copy)
InChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)24/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,14-11+,15-12+/t18-,19+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CC)(=O)O

References

Other Databases

CHEBI ID
137034
PubChem CID
52921891

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 373.88
Topological Polar Surface Area 77.76
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 4
logP 4.51
Molar Refractivity 99.75

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Created at
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Updated at
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