KEGG   COMPOUND: C05950
Entry
C05950                      Compound                               
Name
20-COOH-Leukotriene B4;
20-COOH-LTB4;
20-Carboxy-leukotriene B4;
5,12-Dihydroxy-Delta5,8,11,14-eicosapolyendioic acid
Formula
C20H30O6
Exact mass
366.2042
Mol weight
366.4486
Structure
Reaction
Pathway
map00590  Arachidonic acid metabolism
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA03 Eicosanoids
   FA0302 Leukotrienes
    C05950  20-Carboxy-leukotriene B4
Other DBs
PubChem: 8234
ChEBI: 27562
LIPIDMAPS: LMFA03020016
3DMET: B01924
NIKKAJI: J2.760.808F
KCF data

ATOM        26
            1   C1c C    26.3904  -22.1103
            2   C1b C    27.5744  -22.7912
            3   C2b C    25.2143  -22.8767
            4   O1a O    26.3828  -20.7329
            5   C1b C    28.7429  -22.0948
            6   C2b C    23.8369  -22.8762
            7   C1b C    29.9348  -22.7681
            8   C2b C    22.6684  -22.1565
            9   C6a C    31.1185  -22.0715
            10  C2b C    21.4768  -22.8453
            11  O6a O    32.2949  -22.7526
            12  O6a O    31.1809  -20.7019
            13  C2b C    20.3006  -22.1644
            14  C2b C    19.1166  -22.8607
            15  C1c C    17.9248  -22.1644
            16  C1b C    16.7408  -22.8607
            17  O1a O    17.9093  -20.7870
            18  C2b C    16.7408  -25.0277
            19  C2b C    17.9248  -25.7085
            20  C1b C    19.1166  -25.0277
            21  C1b C    20.3006  -25.7085
            22  C1b C    21.4768  -25.0353
            23  C1b C    22.6684  -25.7164
            24  C6a C    23.8524  -25.0429
            25  O6a O    25.0285  -25.7240
            26  O6a O    23.8447  -23.6965
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     3   6 2
            6     5   7 1
            7     6   8 1
            8     7   9 1
            9     8  10 2
            10    9  11 1
            11    9  12 2
            12   10  13 1
            13   13  14 2
            14   14  15 1
            15   15  16 1
            16   15  17 1 #Up
            17   16  18 1
            18   18  19 2
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   24  26 2

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