KEGG   COMPOUND: C14865
Entry
C14865                      Compound                               

Name
2-(S-Glutathionyl)acetyl chloride
Formula
C12H18ClN3O7S
Exact mass
383.0554
Mol weight
383.8052
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
PubChem: 17395863
ChEBI: 34253
NIKKAJI: J2.789.620K
KCF data

ATOM        24
            1   C1c C    26.3755  -21.6836
            2   C5a C    27.6383  -22.3150
            3   N1b N    25.1830  -22.3852
            4   C1b C    26.3755  -20.2806
            5   N1b N    28.8308  -21.6134
            6   O5a O    27.7084  -23.9284
            7   C5a C    23.9905  -21.7537
            8   S2a S    27.5681  -19.5792
            9   C1b C    30.0234  -22.2448
            10  C1b C    22.7979  -22.4553
            11  O5a O    23.9905  -20.3508
            12  C6a C    31.2159  -21.5434
            13  C1b C    21.6053  -21.8239
            14  O6a O    32.4085  -22.1747
            15  O6a O    31.2159  -20.1403
            16  C1c C    20.4128  -22.5955
            17  C6a C    19.1501  -21.8941
            18  N1a N    20.4128  -23.9284
            19  O6a O    18.0277  -22.7358
            20  O6a O    19.2202  -20.4911
            21  X   Cl   25.1830  -18.1059
            22  C5a C    26.3755  -17.4045
            23  C1b C    27.5681  -18.1059
            24  O5a O    26.3755  -16.0014
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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