Structure Database (LMSD)

Common Name
19-hydroxy-Resolvin E1
Systematic Name
5S,12R,18S,19-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms
  • 19-hydroxy-RvE1
LM ID
LMFA03140005
Status
Active
Exact Mass
Calculate m/z
366.20424
Formula
Abbrev


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MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
BSRCJEQUGISTPZ-ZSPCSQLQSA-N
InChi (Click to copy)
InChI=1S/C20H30O6/c1-16(21)19(24)14-8-4-7-12-17(22)10-5-2-3-6-11-18(23)13-9-15-20(25)26/h2-8,10-11,14,16-19,21-24H,9,12-13,15H2,1H3,(H,25,26)/b3-2+,7-4-,10-5+,11-6-,14-8+/t16?,17-,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)C(O)C)(=O)O

References

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
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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Updated at
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