Structure Database (LMSD)

Common Name
20-hydroxy-Resolvin E1
Systematic Name
5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms
  • 20-hydroxy-RvE1
LM ID
LMFA03140008
Formula
C20H30O6
Exact Mass
Calculate m/z
366.20424
Sum Composition
FA 20:5;O4
Status
Active
Show lipids differing only in stereochemistry/bond geometry

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)
JTGJRDREFMAMJA-MPPNEBGGSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c21-16-15-19(24)12-7-3-6-11-17(22)9-4-1-2-5-10-18(23)13-8-14-20(25)26/h1-7,9-10,12,17-19,21-24H,8,11,13-16H2,(H,25,26)/b2-1+,6-3-,9-4+,10-5-,12-7+/t17-,18+,19+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)CCO)(=O)O

Other Databases

CHEBI ID
165269
PubChem CID
53477463

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 391.46
Topological Polar Surface Area 118.22
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 6
logP 3.02
Molar Refractivity 103.55

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Created at
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Updated at
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