KEGG   COMPOUND: C05526
Entry
C05526                      Compound                               

Name
S-Glutathionyl-L-cysteine
Formula
C13H22N4O8S2
Exact mass
426.0879
Mol weight
426.4658
Structure
Reaction
Pathway
map00270  Cysteine and methionine metabolism
map01100  Metabolic pathways
Enzyme
1.8.1.9         1.8.1.10        1.8.4.3
Other DBs
PubChem: 7869
ChEBI: 21264 8959
NIKKAJI: J2.756.162D
LinkDB
KCF data

ATOM        27
            1   O6a O    19.8880  -22.0555
            2   C6a C    21.0784  -21.3552
            3   C1c C    22.3389  -22.0555
            4   C1b C    23.5293  -21.3552
            5   C1b C    24.7197  -22.0555
            6   C5a C    25.9801  -21.3552
            7   N1b N    27.1705  -22.0555
            8   C1c C    28.3609  -21.3552
            9   C5a C    29.6213  -22.0555
            10  N1b N    30.8117  -21.3552
            11  C1b C    32.0021  -22.0555
            12  C6a C    33.2625  -21.3552
            13  O6a O    34.4529  -22.0555
            14  O6a O    21.0784  -19.9548
            15  N1a N    22.3389  -23.4559
            16  O5a O    25.9801  -19.9548
            17  C1b C    28.3609  -19.9548
            18  S3a S    29.5513  -19.2545
            19  O5a O    29.6213  -23.4559
            20  O6a O    33.2625  -19.9548
            21  S3a S    29.5513  -17.8545
            22  C1b C    28.5613  -16.8645
            23  C1c C    28.5613  -15.4645
            24  C6a C    29.7737  -14.7645
            25  N1a N    27.3489  -14.7645
            26  O6a O    29.7737  -13.3645
            27  O6a O    30.9862  -15.4645
BOND        26
            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 2
            14    3  15 1 #Down
            15    6  16 2
            16    8  17 1 #Up
            17   17  18 1
            18    9  19 2
            19   12  20 2
            20   18  21 1
            21   21  22 1
            22   23  22 1 #Down
            23   23  24 1
            24   23  25 1
            25   24  26 2
            26   24  27 1

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