KEGG   COMPOUND: C14863
Entry
C14863                      Compound                               

Name
2-(S-Glutathionyl)acetyl glutathione
Formula
C22H34N6O13S2
Exact mass
654.1625
Mol weight
654.6678
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
PubChem: 17395861
ChEBI: 34254
NIKKAJI: J2.789.599I
KCF data

ATOM        43
            1   C1c C    28.2590  -24.4734
            2   C5a C    29.5213  -25.1046
            3   N1b N    27.0668  -25.1747
            4   C1b C    28.2590  -23.0709
            5   N1b N    30.7135  -24.4033
            6   O5a O    29.5214  -26.7175
            7   C5a C    25.8747  -24.5435
            8   S2a S    29.4512  -22.3696
            9   C1b C    31.9056  -25.0344
            10  C1b C    24.6825  -25.2448
            11  O5a O    25.8747  -23.1410
            12  C6a C    33.0978  -24.3332
            13  C1b C    23.4904  -24.6137
            14  O6a O    34.2900  -24.9643
            15  O6a O    33.0978  -22.9306
            16  C1c C    22.2982  -25.3851
            17  C6a C    21.0359  -24.6838
            18  N1a N    22.2982  -26.7175
            19  O6a O    19.9139  -25.5253
            20  O6a O    21.0360  -23.2812
            21  O5a O    27.0668  -20.8969
            22  C5a C    28.2590  -20.1956
            23  C1b C    29.4512  -20.8969
            24  S2a S    28.2591  -18.7931
            25  C1c C    27.0668  -16.6893
            26  C5a C    28.3291  -16.0581
            27  N1b N    25.8747  -15.9880
            28  C1b C    27.0668  -18.0918
            29  N1b N    29.5213  -16.7594
            30  O5a O    28.3293  -14.4452
            31  C5a C    24.6825  -16.6191
            32  C1b C    30.7135  -16.1283
            33  C1b C    23.4904  -15.9179
            34  O5a O    24.6825  -18.0217
            35  C6a C    31.9056  -16.8295
            36  C1b C    22.2982  -16.5490
            37  O6a O    33.0978  -16.1984
            38  O6a O    31.9056  -18.2321
            39  C1c C    21.1060  -15.7776
            40  C6a C    19.8437  -16.4789
            41  N1a N    21.1060  -14.4452
            42  O6a O    18.7217  -15.6374
            43  O6a O    19.8439  -17.8814
BOND        42
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   16  17 1
            17   16  18 1 #Down
            18   17  19 1
            19   17  20 2
            20   21  22 2
            21   22  23 1
            22   23   8 1
            23   22  24 1
            24   25  26 1
            25   25  27 1
            26   25  28 1 #Down
            27   26  29 1
            28   26  30 2
            29   27  31 1
            30   28  24 1
            31   29  32 1
            32   31  33 1
            33   31  34 2
            34   32  35 1
            35   33  36 1
            36   35  37 1
            37   35  38 2
            38   36  39 1
            39   39  40 1
            40   39  41 1 #Up
            41   40  42 1
            42   40  43 2

» Japanese version

DBGET integrated database retrieval system