Structure database (LMSD)

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LM IDLMFA03140008
Common Name20-hydroxy-Resolvin E1
Systematic Name5S,12R,18S,20-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms20-hydroxy-RvE1
Exact Mass
366.2042 (neutral)    Calculate m/z:
FormulaC20H30O6
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassResolvin Es [FA0314]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID53477463
InChIKeyJTGJRDREFMAMJA-MPPNEBGGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O6/c21-16-15-19(24)12-7-3-6-11-17(22)9-4-1-2-5-10-18(23)13-8-14-2
0(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-,1
2-7+/t17-,18+,19+/m0/s1
SMILESC(CCC[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\C=C\[C@@H](O)CCO)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
391.46Topological Polar
Surface Area
118.22Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP3.02Molar
Refractivity
103.55