Structure database (LMSD)

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LM IDLMFA03140011
Common NameResolvin E2
Systematic Name5S,18R-dihydroxy-6E,8Z,11Z,14Z,16E-eicosapentaenoic acid
Synonyms-
Exact Mass
334.2144 (neutral)    Calculate m/z:
FormulaC20H30O4
CategoryFatty Acyls [FA]
Main ClassEicosanoids [FA03]
Sub ClassResolvin Es [FA0314]
Alternative ClassesUnsaturated fatty acids[FA0103], Hydroxy fatty acids[FA0105]
PubChem CID16061125
InChIKeyKPRHYAOSTOHNQA-NNQKPOSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-18(21)14-11-9-7-5-3-4-6-8-10-12-15-19(22)16-13-17-20(23)2
4/h3-4,7-12,14-15,18-19,21-22H,2,5-6,13,16-17H2,1H3,(H,23,24)/b4-3-,9-7-,10-8-,1
4-11+,15-12+/t18-,19-/m1/s1
SMILESC(CCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC)(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings0Aromatic Rings0Rotatable Bonds13
 van der Waals
Molecular Volume
373.88Topological Polar
Surface Area
77.76Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
4
 logP4.51Molar
Refractivity
99.75