KEGG   COMPOUND: C11583Help
Entry
C11583                      Compound                               

Name
4-Glutathionyl cyclophosphamide
Formula
C17H30Cl2N5O8PS
Exact mass
565.093
Mol weight
566.3936
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Drug metabolism - cytochrome P450
Enzyme
Other DBs
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1c C    25.0720  -19.5347
            2   C5a C    26.2731  -20.2270
            3   N1b N    23.8766  -20.2270
            4   C1b C    25.0253  -17.9088
            5   O5a O    26.2731  -21.6053
            6   C5a C    22.6828  -19.5347
            7   S2a S    23.7706  -17.1397
            8   C1b C    21.4874  -20.2270
            9   O5a O    22.6828  -18.1575
            10  C1b C    20.2923  -19.5347
            11  C1c C    19.0912  -20.2270
            12  C6a C    17.9031  -19.5347
            13  N1a N    19.0912  -21.6053
            14  O6a O    16.7078  -20.2270
            15  O6a O    17.9088  -18.1575
            16  N1b N    27.4739  -19.5340
            17  C1b C    28.6678  -20.2265
            18  C6a C    29.8686  -19.5335
            19  O6a O    31.0696  -20.2259
            20  O6a O    29.8683  -18.1549
            21  P1a P    21.2932  -14.3917
            22  N1c N    21.2815  -12.9975
            23  N1x N    22.5180  -15.0740
            24  O2x O    20.0915  -15.1148
            25  O3b O    20.0799  -13.6917
            26  C1b C    22.4889  -12.2976
            27  C1b C    20.0799  -12.2976
            28  C1y C    22.5473  -16.4680
            29  C1x C    20.1149  -16.5206
            30  C1b C    23.6963  -12.9859
            31  C1b C    18.8725  -12.9975
            32  C1x C    21.3456  -17.1972
            33  X   Cl   24.8978  -12.2918
            34  X   Cl   17.6651  -12.2976
BOND        34
            1    12  15 2
            2     2  16 1
            3    16  17 1
            4    17  18 1
            5    18  19 2
            6    18  20 1
            7     1   2 1
            8     1   3 1
            9     1   4 1
            10    2   5 2
            11    3   6 1
            12    4   7 1
            13    6   8 1
            14    6   9 2
            15    8  10 1
            16   10  11 1
            17   11  12 1
            18   11  13 1
            19   12  14 1
            20   21  22 1
            21   21  23 1
            22   21  24 1
            23   21  25 2
            24   22  26 1
            25   22  27 1
            26   23  28 1
            27   24  29 1
            28   26  30 1
            29   27  31 1
            30   28  32 1
            31   30  33 1
            32   31  34 1
            33   29  32 1
            34   28   7 1

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