KEGG   COMPOUND: C11175
Entry
C11175                      Compound                               

Name
S-(2,4-Dinitrophenyl)glutathione
Formula
C16H19N5O10S
Exact mass
473.0853
Mol weight
473.4146
Structure
Other DBs
CAS: 26289-39-4
PubChem: 13357
ChEBI: 8927
ChEMBL: CHEMBL1232997
PDB-CCD: GDN[PDBj]
NIKKAJI: J371.897B
KCF data

ATOM        32
            1   C8y C    27.7340  -22.7267
            2   C8x C    28.9746  -21.9948
            3   C8y C    28.9604  -20.5507
            4   C8y C    27.7091  -19.8446
            5   C8x C    26.4613  -20.5766
            6   C8x C    26.4720  -22.0145
            7   N2b N    27.7488  -24.1784 #+
            8   N2b N    30.2076  -19.8302 #+
            9   O3a O    26.4347  -25.0564 #-
            10  O3a O    28.9980  -24.8948
            11  O3a O    31.4640  -20.5466 #-
            12  O3a O    30.2664  -18.3915
            13  C1c C    28.9477  -16.1301
            14  N1b N    27.8069  -15.4773
            15  C1b C    28.9653  -17.6884
            16  C5a C    30.0825  -15.4773
            17  C5a C    26.6721  -16.1301
            18  S2a S    27.7133  -18.3997
            19  O5a O    30.0825  -14.1670
            20  C1b C    25.5374  -15.4773
            21  O5a O    26.6721  -17.4475
            22  C1b C    24.3966  -16.1301
            23  C1c C    23.2690  -15.4773
            24  C6a C    22.1282  -16.1301
            25  N1a N    23.2690  -14.1670
            26  O6a O    20.9934  -15.4715
            27  O6a O    22.1342  -17.4475
            28  N1b N    31.3124  -16.1700
            29  C1b C    32.5249  -15.4700
            30  C6a C    33.7373  -16.1700
            31  O6a O    34.9497  -15.4700
            32  O6a O    33.7373  -17.5700
BOND        32
            1     7  10 2
            2     6   1 1
            3     8  11 1
            4     1   7 1
            5     1   2 2
            6     8  12 2
            7     3   8 1
            8     2   3 1
            9     3   4 2
            10    4   5 1
            11    7   9 1
            12    5   6 2
            13   13  14 1
            14   13  15 1 #Down
            15   13  16 1
            16   14  17 1
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   17  21 2
            21   20  22 1
            22   22  23 1
            23   23  24 1 #Up
            24   23  25 1
            25   24  26 1
            26   24  27 2
            27   18   4 1
            28   16  28 1
            29   28  29 1
            30   29  30 1
            31   30  31 1
            32   30  32 2

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