Structure database (LMSD)

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LM IDLMFA03140007
Common Name18S-Resolvin E3
Systematic Name17R,18S-dihydroxy-5Z,8Z,11Z,13E,15E-eicosapentaenoic acid
Synonyms18S-RvE3; 17,18-diHEPE; 17R,18S-diHEPE
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 CID56848781
InChIKeyWYCMUVNNXSREQB-BBJRFLMCSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C20H30O4/c1-2-18(21)19(22)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20(23)2
4/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,8-6-,11-9-
,12-10+,16-14+/t18-,19+/m0/s1
SMILESC(CCC/C=C\C/C=C\C/C=C\C=C\C=C\[C@@H](O)[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