KEGG   COMPOUND: C03170Help
Entry
C03170                      Compound                               

Name
Trypanothione disulfide;
Oxidized trypanothione
Formula
C27H47N9O10S2
Exact mass
721.2887
Mol weight
721.8464
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Glutathione metabolism
Metabolic pathways
Enzyme
1.8.1.12        1.11.1.15       1.17.4.1
Other DBs
CAS: 
96304-42-6
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        48
            1   C1c C    28.7191  -18.2779
            2   N1b N    27.5302  -18.9654
            3   C5a C    28.7191  -16.9091
            4   C1b C    29.9197  -18.9654
            5   C5a C    26.3484  -18.2779
            6   N1b N    29.9197  -16.2217
            7   O5a O    27.5302  -16.2217
            8   S3a S    31.0956  -18.2779
            9   C1b C    25.1594  -18.9654
            10  O5a O    26.3484  -16.9091
            11  C1b C    31.0956  -16.9091
            12  C1b C    23.9774  -18.2779
            13  C5a C    32.2845  -16.2217
            14  C1c C    22.7828  -18.9654
            15  N1b N    33.4665  -16.9091
            16  O5a O    32.2845  -14.8527
            17  C6a C    21.5881  -18.2779
            18  N1a N    22.7828  -20.3342
            19  C1b C    34.6555  -16.2217
            20  O6a O    20.4120  -18.9654
            21  O6a O    21.5881  -16.9091
            22  C1b C    35.8561  -16.9091
            23  C1b C    35.8561  -18.2779
            24  C1b C    37.0321  -18.9654
            25  N1b N    37.0321  -20.3342
            26  C1b C    35.8561  -21.0159
            27  C1b C    35.8561  -22.3906
            28  C1b C    34.6555  -23.0722
            29  N1b N    33.4665  -22.3906
            30  C5a C    32.2845  -23.0722
            31  C1b C    31.0956  -22.3906
            32  O5a O    32.2845  -24.4600
            33  N1b N    29.9197  -23.0722
            34  C5a C    28.7191  -22.3906
            35  C1c C    28.7191  -21.0159
            36  O5a O    27.5302  -23.0722
            37  N1b N    27.5302  -20.3342
            38  C1b C    29.9197  -20.3342
            39  C5a C    26.3484  -21.0159
            40  S3a S    31.0956  -21.0159
            41  C1b C    26.3484  -22.3906
            42  O5a O    25.1594  -20.3342
            43  C1b C    25.1594  -23.0722
            44  C1c C    25.1594  -24.4600
            45  C6a C    23.9774  -25.1415
            46  N1a N    26.3484  -25.1415
            47  O6a O    22.7828  -24.4600
            48  O6a O    23.9774  -26.5162
BOND        48
            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   28  29 1
            29   29  30 1
            30   30  31 1
            31   30  32 2
            32   31  33 1
            33   33  34 1
            34   34  35 1
            35   34  36 2
            36   35  37 1 #Up
            37   35  38 1
            38   37  39 1
            39   38  40 1
            40   39  41 1
            41   39  42 2
            42   41  43 1
            43   43  44 1
            44   44  45 1
            45   44  46 1 #Down
            46   45  47 1
            47   45  48 2
            48    8  40 1

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