Structure database (LMSD)

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LM IDLMFA03140005
Common Name19-hydroxy-Resolvin E1
Systematic Name5S,12R,18S,19-tetrahydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Synonyms19-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 CID53477462
InChIKeyBSRCJEQUGISTPZ-ZSPCSQLQSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O6/c1-16(21)19(24)14-8-4-7-12-17(22)10-5-2-3-6-11-18(23)13-9-15-2
0(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+,1
1-6-,14-8+/t16?,17-,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)C(O)C)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms26Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
391.46Topological Polar
Surface Area
118.22Hydrogen
Bond Donors
5Hydrogen
Bond Acceptors
6
 logP3.02Molar
Refractivity
103.55