KEGG   COMPOUND: C16568Help
Entry
C16568                      Compound                               

Name
Homotrypanothione disulfide
Formula
C28H49N9O10S2
Exact mass
735.3044
Mol weight
735.873
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00480  Glutathione metabolism
Enzyme
Other DBs
PubChem: 51090897
ChEBI: 80573
NIKKAJI: J2.803.729E
KCF data Show

ATOM        49
            1   C1c C    28.2487  -18.2756
            2   N1b N    27.0414  -18.9693
            3   C5a C    28.2487  -16.8822
            4   C1b C    29.4548  -18.9693
            5   C5a C    25.8409  -18.2756
            6   N1b N    29.4548  -16.1884
            7   O5a O    27.0414  -16.1884
            8   S3a S    30.6566  -18.2756
            9   C1b C    24.6334  -18.9693
            10  O5a O    25.8409  -16.8822
            11  C1b C    30.6566  -16.8822
            12  C1b C    23.4330  -18.2756
            13  C5a C    31.8627  -16.1884
            14  C1c C    22.2255  -18.9693
            15  N1b N    33.0646  -16.8822
            16  O5a O    31.8627  -14.7950
            17  C6a C    21.0191  -18.2756
            18  N1a N    22.2255  -20.3569
            19  C1b C    34.2707  -16.1884
            20  O6a O    19.8246  -18.9693
            21  O6a O    21.0191  -16.8822
            22  S3a S    30.6606  -21.0688
            23  C1b C    29.4786  -20.3735
            24  C1c C    28.2270  -21.0688
            25  N1b N    27.0450  -20.3735
            26  C5a C    28.2270  -22.4594
            27  C5a C    25.8630  -21.0688
            28  N1b N    29.4786  -23.1547
            29  O5a O    27.0450  -23.1547
            30  C1b C    25.8630  -22.4594
            31  O5a O    24.6115  -20.3735
            32  C1b C    30.6606  -22.4594
            33  C1b C    36.6401  -18.9829
            34  C1b C    24.6115  -23.1547
            35  C5a C    31.8426  -23.1547
            36  N1b N    36.6401  -20.3735
            37  C1c C    24.6115  -24.5453
            38  N1b N    33.0941  -22.4594
            39  O5a O    31.8426  -24.5453
            40  C1b C    35.4581  -21.0688
            41  C6a C    23.4295  -25.2406
            42  N1a N    25.8630  -25.2406
            43  C1b C    34.2761  -23.1547
            44  C1b C    35.4581  -22.4594
            45  O6a O    22.2475  -24.5453
            46  O6a O    23.4295  -26.6312
            47  C1b C    35.4581  -16.8970
            48  C1b C    36.7792  -16.4799
            49  C1b C    37.6830  -18.0790
BOND        49
            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
            49    8  22 1

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