Structure database (LMSD)

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LM IDLMFA03140001
Common Name10,11-dihydro-Resolvin E1
Systematic Name5S,12,18S-trihydroxy-6Z,8E,14Z,16E-eicosatetraenoic acid
Synonyms10,11-dihydro-RvE1
Exact Mass
352.2250 (neutral)    Calculate m/z:
FormulaC20H32O5
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassResolvin Es [FA0314]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID53477459
InChIKeyKOYKAOBHYIJNTF-ZWLIVBFSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H32O5/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/h3-5,7-9,11,13,17-19,21-23H,2,6,10,12,14-16H2,1H3,(H,24,25)/b4-3+,9-5-,11-8
+,13-7-/t17-,18?,19+/m0/s1
SMILESC(CCC[C@H](O)/C=C\C=C\CCC(O)C/C=C\C=C\[C@@H](O)CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings0Aromatic Rings0Rotatable Bonds14
 van der Waals
Molecular Volume
385.31Topological Polar
Surface Area
97.99Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
5
 logP3.99Molar
Refractivity
101.75