KEGG   COMPOUND: C16562Help
Entry
C16562                      Compound                               

Name
Glutathionylspermine
Formula
C20H41N7O5S
Exact mass
491.289
Mol weight
491.6484
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00480  Glutathione metabolism
Enzyme
Other DBs
PubChem: 51090891
ChEBI: 80568
NIKKAJI: J2.803.707D
LinkDB All DBs
KCF data Show

ATOM        33
            1   O6a O    15.4240  -21.3685
            2   C6a C    16.6385  -20.6673
            3   C1c C    17.8531  -21.3685
            4   C1b C    19.0677  -20.6673
            5   C1b C    20.2822  -21.3685
            6   C5a C    21.4969  -20.6673
            7   N1b N    22.7114  -21.3685
            8   C1c C    23.9259  -20.6673
            9   C5a C    25.1406  -21.3685
            10  N1b N    26.3551  -20.6673
            11  C1b C    27.5698  -21.3685
            12  C5a C    28.7843  -20.6673
            13  N1b N    29.9988  -21.3685
            14  C1b C    31.2135  -20.6673
            15  C1b C    32.4280  -21.3685
            16  C1b C    33.6426  -20.6673
            17  N1b N    34.8572  -21.3685
            18  C1b C    36.0717  -20.6673
            19  C1b C    37.2863  -21.3685
            20  C1b C    38.5009  -20.6673
            21  O6a O    16.6385  -19.2650
            22  O5a O    21.4969  -19.2651
            23  O5a O    25.1406  -22.7707
            24  O5a O    28.7843  -19.2652
            25  N1a N    17.8531  -22.7708
            26  C1b C    23.9259  -19.2649
            27  S1a S    25.1278  -18.5710
            28  C1b C    39.7108  -21.3658
            29  N1b N    40.9061  -20.6756
            30  C1b C    42.0966  -21.3629
            31  C1b C    43.2824  -20.6500
            32  C1b C    44.4949  -21.3500
            33  N1a N    45.7073  -20.6500
BOND        32
            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     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20    2  21 2
            21    6  22 2
            22    9  23 2
            23   12  24 2
            24    3  25 1 #Down
            25    8  26 1 #Up
            26   26  27 1
            27   20  28 1
            28   28  29 1
            29   29  30 1
            30   30  31 1
            31   31  32 1
            32   32  33 1

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