KEGG   COMPOUND: C18171Help
Entry
C18171                      Compound                               

Name
Resolvin E1;
5S,12R,18R-Trihydroxy-6Z,8E,10E,14Z,16E-eicosapentaenoic acid
Formula
C20H30O5
Exact mass
350.2093
Mol weight
350.4492
Structure
Mol fileKCF fileDB search
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0307 Hydroxy/hydroperoxyeicosapentaenoic acids
    C18171  Resolvin E1
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: other receptors
   Leukotriene B4 receptor
    leukotriene B4 receptor 1
     C18171  Resolvin E1
    leukotriene B4 receptor 2
     C18171  Resolvin E1
BRITE hierarchy
Other DBs
PubChem: 96024387
ChEBI: 81559
NIKKAJI: J2.218.407E
KCF data Show

ATOM        25
            1   C2b C    22.2600   -7.3500
            2   C1c C    23.5200   -6.6500
            3   C1b C    24.7100   -7.3500
            4   C1b C    25.9000   -6.6500
            5   C1b C    27.0900   -7.3500
            6   C6a C    28.3500   -6.6500
            7   O6a O    29.5400   -7.3500
            8   O6a O    28.3500   -5.2500
            9   O1a O    23.5200   -5.2500
            10  C2b C    20.8600   -7.3500
            11  C1b C    13.5800   -7.3500
            12  C1c C    14.7700   -6.6500
            13  C2b C    15.9600   -7.3500
            14  C2b C    17.2200   -6.6500
            15  C2b C    18.4100   -7.3500
            16  C2b C    19.6000   -6.6500
            17  O1a O    14.7700   -5.2500
            18  C2b C    13.5800   -8.7500
            19  C2b C    14.8400   -9.4500
            20  C2b C    16.0300   -8.7500
            21  C2b C    17.2200   -9.4500
            22  C1c C    18.6200   -9.4500
            23  C1b C    19.8100   -8.7500
            24  C1a C    21.0700   -9.4500
            25  O1a O    18.9700  -10.7800
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     6   8 2
            8     2   9 1 #Up
            9     1  10 2
            10   11  12 1
            11   12  13 1
            12   13  14 2
            13   14  15 1
            14   15  16 2
            15   16  10 1
            16   12  17 1 #Up
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   18  11 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   22  25 1 #Up

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