KEGG   COMPOUND: C16563Help
Entry
C16563                      Compound                               

Name
Bis(glutathionyl)spermine;
N1,N12-Bis(glutathionyl)spermine
Formula
C30H56N10O10S2
Exact mass
780.3622
Mol weight
780.9566
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00480  Glutathione metabolism
Enzyme
1.8.1.12        6.3.1.9
Other DBs
PubChem: 51090892
ChEBI: 80569
NIKKAJI: J1.941.269E
KCF data Show

ATOM        52
            1   C1c C    26.8318  -16.7879
            2   N1b N    25.6163  -17.4863
            3   C5a C    26.8318  -15.3850
            4   C1b C    28.0461  -17.4863
            5   C5a C    24.4077  -16.7879
            6   N1b N    28.0461  -14.6866
            7   O5a O    25.6163  -14.6866
            8   S1a S    29.2560  -16.7879
            9   C1b C    23.1920  -17.4863
            10  O5a O    24.4077  -15.3850
            11  C1b C    29.2560  -15.3850
            12  C1b C    21.9835  -16.7879
            13  C5a C    30.4703  -14.6866
            14  C1c C    20.7678  -17.4863
            15  N1b N    31.6803  -15.3850
            16  O5a O    30.4703  -13.2837
            17  C6a C    19.5533  -16.7879
            18  N1a N    20.7678  -18.8833
            19  C1b C    32.8946  -14.6866
            20  O6a O    18.3507  -17.4863
            21  O6a O    19.5533  -15.3850
            22  C1b C    34.1101  -15.3850
            23  C1b C    35.2996  -14.6950
            24  N1b N    36.5007  -15.3854
            25  C1b C    36.5037  -16.7996
            26  C1b C    37.6922  -17.4828
            27  C1b C    37.6253  -18.8996
            28  C1b C    36.5104  -19.5874
            29  S1a S    29.2560  -19.5816
            30  C1b C    28.0461  -18.8833
            31  C1c C    26.8318  -19.5816
            32  N1b N    25.6163  -18.8833
            33  C5a C    26.8318  -20.9845
            34  C5a C    24.4077  -19.5816
            35  N1b N    28.0461  -21.6829
            36  O5a O    25.6163  -21.6829
            37  C1b C    24.4077  -20.9845
            38  O5a O    23.1920  -18.8833
            39  C1b C    29.2560  -20.9845
            40  C1b C    23.1920  -21.6829
            41  C5a C    30.4703  -21.6829
            42  N1b N    35.3129  -18.8833
            43  C1c C    23.1920  -23.0916
            44  N1b N    31.6803  -20.9845
            45  O5a O    30.4703  -23.0916
            46  C1b C    34.1101  -19.5816
            47  C6a C    21.9835  -23.7901
            48  N1a N    24.4077  -23.7901
            49  C1b C    32.8946  -21.6829
            50  C1b C    34.1101  -20.9845
            51  O6a O    20.7678  -23.0916
            52  O6a O    21.9835  -25.1871
BOND        51
            1     1   2 1 #Down
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     5  10 2
            10    6  11 1
            11    9  12 1
            12   11  13 1
            13   12  14 1
            14   13  15 1
            15   13  16 2
            16   14  17 1
            17   14  18 1 #Down
            18   15  19 1
            19   17  20 1
            20   17  21 2
            21   19  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   29  30 1
            29   30  31 1
            30   31  32 1 #Up
            31   31  33 1
            32   32  34 1
            33   33  35 1
            34   33  36 2
            35   34  37 1
            36   34  38 2
            37   35  39 1
            38   37  40 1
            39   39  41 1
            40   40  43 1
            41   41  44 1
            42   41  45 2
            43   42  46 1
            44   43  47 1
            45   43  48 1 #Down
            46   44  49 1
            47   46  50 1
            48   47  51 1
            49   47  52 2
            50   49  50 1
            51   28  42 1

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