Structure database (LMSD)

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LM IDLMFA03140012
Common Name18-oxo-Resolvin E1
Systematic Name18-oxo-5S,12R-dihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms18-oxo-RvE1
Exact Mass
348.1937 (neutral)    Calculate m/z:
FormulaC20H28O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassResolvin Es [FA0314]
Alternative ClassesUnsaturated fatty acids[FA0103], Oxo fatty acids[FA0106], Hydroxy fatty acids[FA0105]
PubChem CID25242251
InChIKeyCMOJNYRANQREGD-IJDHQMKWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H28O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(2
4)25/h3-9,11-13,18-19,22-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8+,12-6+,1
3-7-/t18-,19+/m0/s1
SMILESC(CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\C(=O)CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
380.03Topological Polar
Surface Area
94.83Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
5
 logP3.69Molar
Refractivity
100.14