KEGG   COMPOUND: C16564Help
Entry
C16564                      Compound                               

Name
Bis(glutathionyl)spermine disulfide
Formula
C30H54N10O10S2
Exact mass
778.3466
Mol weight
778.9408
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00480  Glutathione metabolism
Enzyme
Other DBs
PubChem: 51090893
ChEBI: 80570
NIKKAJI: J2.803.717A
LinkDB All DBs
KCF data Show

ATOM        52
            1   C1c C    27.5098  -18.2179
            2   N1b N    26.2921  -18.9176
            3   C5a C    27.5098  -16.8125
            4   C1b C    28.7262  -18.9176
            5   C5a C    25.0813  -18.2179
            6   N1b N    28.7262  -16.1129
            7   O5a O    26.2921  -16.1129
            8   S3a S    29.9383  -18.2179
            9   C1b C    23.8635  -18.9176
            10  O5a O    25.0813  -16.8125
            11  C1b C    29.9383  -16.8125
            12  C1b C    22.6528  -18.2179
            13  C5a C    31.1548  -16.1129
            14  C1c C    21.4349  -18.9176
            15  N1b N    32.3669  -16.8125
            16  O5a O    31.1548  -14.7074
            17  C6a C    20.2182  -18.2179
            18  N1a N    21.4349  -20.3171
            19  C1b C    33.5834  -16.1129
            20  O6a O    19.0135  -18.9176
            21  O6a O    20.2182  -16.8125
            22  C1b C    34.8011  -16.8125
            23  C1b C    35.9927  -16.1213
            24  N1b N    37.1959  -16.8129
            25  C1b C    37.1989  -18.2296
            26  C1b C    38.3896  -18.9140
            27  C1b C    38.3226  -20.3334
            28  C1b C    37.2057  -21.0224
            29  S3a S    29.9383  -21.0166
            30  C1b C    28.7262  -20.3171
            31  C1c C    27.5098  -21.0166
            32  N1b N    26.2921  -20.3171
            33  C5a C    27.5098  -22.4220
            34  C5a C    25.0813  -21.0166
            35  N1b N    28.7262  -23.1217
            36  O5a O    26.2921  -23.1217
            37  C1b C    25.0813  -22.4220
            38  O5a O    23.8635  -20.3171
            39  C1b C    29.9383  -22.4220
            40  C1b C    23.8635  -23.1217
            41  C5a C    31.1548  -23.1217
            42  N1b N    36.0060  -20.3171
            43  C1c C    23.8635  -24.5329
            44  N1b N    32.3669  -22.4220
            45  O5a O    31.1548  -24.5329
            46  C1b C    34.8011  -21.0166
            47  C6a C    22.6528  -25.2326
            48  N1a N    25.0813  -25.2326
            49  C1b C    33.5834  -23.1217
            50  C1b C    34.8011  -22.4220
            51  O6a O    21.4349  -24.5329
            52  O6a O    22.6528  -26.6321
BOND        52
            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
            52    8  29 1

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