Structure Database (LMSD)

Common Name
10,11-dihydro-12-oxo-Resolvin E1
Systematic Name
12-oxo-5S,18S-dihydroxy-6Z,8E,14Z,16E-eicosatetraenoic acid
Synonyms
  • 10,11-dihydro-12-oxo-RvE1
LM ID
LMFA03140002
Formula
C20H30O5
Exact Mass
Calculate m/z
350.209325
Sum Composition
FA 20:5;O3
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Eicosanoids [FA03]
Resolvin Es [FA0314]
Fatty Acids and Conjugates [FA01]
Unsaturated fatty acids [FA0103]
Oxo fatty acids [FA0106]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
ZVAAQQQCGCHARU-WQYJQXTLSA-N
InChi (Click to copy)
InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)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-,19+/m0/s1
SMILES (Click to copy)
C(CCC[C@H](O)/C=C\C=C\CCC(=O)C/C=C\C=C\[C@@H](O)CC)(=O)O

Other Databases

CHEBI ID
165276
PubChem CID
53477458

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 0
Aromatic Rings 0
Rotatable Bonds 14
Van der Waals Molecular Volume 382.67
Topological Polar Surface Area 94.83
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 3.91
Molar Refractivity 100.23

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Created at
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Updated at
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