Structure Database (LMSD)

Common Name
18S-Resolvin E1
Systematic Name
5S,12R,18S-trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms
  • 18S-RvE1
LM ID
LMFA03140009
Formula
Exact Mass
Calculate m/z
350.209325
Sum Composition
Status
Active

Classification

String Representations

InChiKey (Click to copy)
AOPOCGPBAIARAV-JJVMZPRHSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,13-7-/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)CC)(=O)O

Other Databases

CHEBI ID
PubChem CID
GuidePharm ID

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 13
Van der Waals Molecular Volume 382.67
Topological Polar Surface Area 97.99
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 5
logP 3.76
Molar Refractivity 101.65

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Updated at
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