KEGG   COMPOUND: C11370
Entry
C11370                      Compound                               
Name
N-Ethylmaleimide-S-glutathione
Formula
C16H22N4O8S
Exact mass
430.1158
Mol weight
430.4329
Structure
Other DBs
CAS: 97908-43-5
PubChem: 13544
ChEBI: 7270
NIKKAJI: J2.774.235A
LinkDB
KCF data

ATOM        29
            1   C1c C    29.1680  -16.5816
            2   C5a C    30.3657  -15.8874
            3   N1b N    27.9692  -15.8874
            4   C1b C    29.1914  -18.2123
            5   O5a O    30.3657  -14.5049
            6   C5a C    26.7646  -16.5816
            7   S2a S    27.8626  -18.9837
            8   C1b C    25.5657  -15.8874
            9   O5a O    26.7646  -17.9629
            10  C1b C    27.8626  -20.3724
            11  C1b C    24.3742  -16.5816
            12  C1c C    23.1693  -15.8874
            13  C6a C    21.9707  -16.5816
            14  N1a N    23.1693  -14.5049
            15  O6a O    20.7789  -15.8874
            16  O6a O    21.9765  -17.9629
            17  N1b N    31.5701  -16.5825
            18  C1b C    32.7746  -15.8879
            19  C6a C    33.9719  -16.5830
            20  O6a O    35.1764  -15.8884
            21  O6a O    33.9715  -17.9655
            22  C1b C    26.6591  -21.0666
            23  N1y N    26.6591  -22.4552
            24  C5x C    25.5360  -23.2736
            25  C2x C    25.9654  -24.5929
            26  C2x C    27.3540  -24.5927
            27  C5x C    27.7836  -23.2736
            28  O5x O    24.2137  -22.8456
            29  O5x O    29.1031  -22.8461
BOND        29
            1    12  14 1
            2    13  15 1
            3    13  16 2
            4     2  17 1
            5     1   2 1
            6    17  18 1
            7     1   3 1
            8    18  19 1
            9     1   4 1 #Down
            10   19  20 2
            11    2   5 2
            12   19  21 1
            13    3   6 1
            14   10  22 1
            15    4   7 1
            16   22  23 1
            17    6   8 1
            18    6   9 2
            19    7  10 1
            20    8  11 1
            21   23  24 1
            22   24  25 1
            23   25  26 2
            24   26  27 1
            25   27  23 1
            26   11  12 1
            27   24  28 2
            28   12  13 1 #Up
            29   27  29 2

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