KEGG   COMPOUND: C14862
Entry
C14862                      Compound                               

Name
2-S-Glutathionyl acetate;
S-(Carboxymethyl)glutathione
Formula
C12H19N3O8S
Exact mass
365.0893
Mol weight
365.3596
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS: 10463-61-3
PubChem: 17395860
ChEBI: 34302
NIKKAJI: J638.833G
KCF data

ATOM        24
            1   C1c C    26.4106  -21.7249
            2   C5a C    27.6717  -22.3554
            3   N1b N    25.2196  -22.4255
            4   C1b C    26.4106  -20.3237
            5   N1b N    28.8626  -21.6548
            6   O5a O    27.7417  -23.9667
            7   C5a C    24.0287  -21.7949
            8   S2a S    27.6016  -19.6232
            9   C1b C    30.0536  -22.2853
            10  C1b C    22.8377  -22.4955
            11  O5a O    24.0287  -20.3938
            12  C6a C    31.2446  -21.5848
            13  C1b C    21.6467  -21.8650
            14  O6a O    32.4356  -22.2153
            15  O6a O    31.2446  -20.1836
            16  C1c C    20.4557  -22.6356
            17  C6a C    19.1947  -21.9351
            18  N1a N    20.4557  -23.9667
            19  O6a O    18.0738  -22.7757
            20  O6a O    19.2647  -20.5339
            21  O6a O    25.2196  -18.1519
            22  C6a C    26.4106  -17.4514
            23  C1b C    27.6016  -18.1519
            24  O6a O    26.4106  -16.0502
BOND        23
            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 1
            21   22  23 1
            22   23   8 1
            23   22  24 2

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