KEGG   COMPOUND: C04572
Entry
C04572                      Compound                               
Name
S-(N-Hydroxy-N-methylcarbamoyl)glutathione
Formula
C12H20N4O8S
Exact mass
380.1002
Mol weight
380.3742
Structure
Other DBs
CAS: 144810-23-1
PubChem: 7173
NIKKAJI: J601.919F
LinkDB
KCF data

ATOM        25
            1   C1a C    13.7200  -16.9400
            2   N1c N    14.9324  -16.2400
            3   C5a C    16.1449  -16.9400
            4   S2a S    17.3573  -16.2400
            5   C1b C    18.5697  -16.9400
            6   C1c C    19.7822  -16.2400
            7   N1b N    20.9946  -16.9400
            8   C5a C    22.2070  -16.2400
            9   C1b C    23.4195  -16.9400
            10  C1b C    24.6319  -16.2400
            11  C1c C    25.8444  -16.9400
            12  C6a C    27.0568  -16.2400
            13  O6a O    28.2692  -16.9400
            14  O1b O    14.9324  -14.8402
            15  O5a O    16.1449  -18.3398
            16  C5a C    19.7822  -14.0703
            17  N1b N    21.0154  -13.3580
            18  O5a O    18.5906  -13.3822
            19  C1b C    22.2215  -14.0541
            20  C6a C    23.4033  -13.3716
            21  O6a O    24.5976  -14.0610
            22  O6a O    23.4033  -11.9702
            23  O5a O    22.2070  -14.8401
            24  N1a N    25.8444  -18.3399
            25  O6a O    27.0568  -14.8404
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    2  14 1
            14    3  15 2
            15    6  16 1 #Up
            16   16  17 1
            17   16  18 2
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 2
            22    8  23 2
            23   11  24 1 #Up
            24   12  25 2

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