KEGG   COMPOUND: C16567Help
Entry
C16567                      Compound                               

Name
Homotrypanothione;
N1,N9-Bis(glutathionyl)aminopropylcadaverine
Formula
C28H51N9O10S2
Exact mass
737.32
Mol weight
737.8888
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00480  Glutathione metabolism
Enzyme
1.8.1.12        3.5.1.-         6.3.1.9
Other DBs
PubChem: 51090896
ChEBI: 80572
NIKKAJI: J2.803.729E
LinkDB All DBs
KCF data Show

ATOM        49
            1   C1c C    28.7218  -18.1879
            2   N1b N    27.5063  -18.8863
            3   C5a C    28.7218  -16.7850
            4   C1b C    29.9361  -18.8863
            5   C5a C    26.2977  -18.1879
            6   N1b N    29.9361  -16.0866
            7   O5a O    27.5063  -16.0866
            8   S1a S    31.1460  -18.1879
            9   C1b C    25.0820  -18.8863
            10  O5a O    26.2977  -16.7850
            11  C1b C    31.1460  -16.7850
            12  C1b C    23.8735  -18.1879
            13  C5a C    32.3603  -16.0866
            14  C1c C    22.6578  -18.8863
            15  N1b N    33.5703  -16.7850
            16  O5a O    32.3603  -14.6837
            17  C6a C    21.4433  -18.1879
            18  N1a N    22.6578  -20.2833
            19  C1b C    34.7846  -16.0866
            20  O6a O    20.2407  -18.8863
            21  O6a O    21.4433  -16.7850
            22  S1a S    31.1500  -21.0000
            23  C1b C    29.9600  -20.3000
            24  C1c C    28.7000  -21.0000
            25  N1b N    27.5100  -20.3000
            26  C5a C    28.7000  -22.4000
            27  C5a C    26.3200  -21.0000
            28  N1b N    29.9600  -23.1000
            29  O5a O    27.5100  -23.1000
            30  C1b C    26.3200  -22.4000
            31  O5a O    25.0600  -20.3000
            32  C1b C    31.1500  -22.4000
            33  C1b C    37.1700  -18.9000
            34  C1b C    25.0600  -23.1000
            35  C5a C    32.3400  -23.1000
            36  N1b N    37.1700  -20.3000
            37  C1c C    25.0600  -24.5000
            38  N1b N    33.6000  -22.4000
            39  O5a O    32.3400  -24.5000
            40  C1b C    35.9800  -21.0000
            41  C6a C    23.8700  -25.2000
            42  N1a N    26.3200  -25.2000
            43  C1b C    34.7900  -23.1000
            44  C1b C    35.9800  -22.4000
            45  O6a O    22.6800  -24.5000
            46  O6a O    23.8700  -26.6000
            47  C1b C    35.9800  -16.8000
            48  C1b C    37.3100  -16.3800
            49  C1b C    38.2200  -17.9900
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   22  23 1
            22   23  24 1
            23   24  25 1 #Up
            24   24  26 1
            25   25  27 1
            26   26  28 1
            27   26  29 2
            28   27  30 1
            29   27  31 2
            30   28  32 1
            31   30  34 1
            32   32  35 1
            33   33  36 1
            34   34  37 1
            35   35  38 1
            36   35  39 2
            37   36  40 1
            38   37  41 1
            39   37  42 1 #Down
            40   38  43 1
            41   40  44 1
            42   41  45 1
            43   41  46 2
            44   43  44 1
            45   48  47 1
            46   33  49 1
            47   48  49 1
            48   19  47 1

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