KEGG   COMPOUND: C05526Help
Entry
C05526                      Compound                               

Name
S-Glutathionyl-L-cysteine
Formula
C13H22N4O8S2
Exact mass
426.0879
Mol weight
426.4658
Structure
Mol fileKCF fileDB search
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
KCF data Show

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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