KEGG   COMPOUND: C21374
Entry
C21374                      Compound                               

Name
2-(Glutathion-S-yl)-2-methylbut-3-en-1-ol
Formula
C15H25N3O7S
Exact mass
391.1413
Mol weight
391.4399
Structure
Reaction
Enzyme
Other DBs
PubChem: 319902604
KCF data

ATOM        26
            1   O6a O    11.3860  -18.3680
            2   C6a C    12.5731  -17.6696
            3   C1c C    13.8300  -18.3680
            4   C1b C    15.0171  -17.6696
            5   C1b C    16.2041  -18.3680
            6   C5a C    17.4610  -17.6696
            7   N1b N    18.6480  -18.3680
            8   C1c C    19.8351  -17.6696
            9   C5a C    21.0919  -18.3680
            10  N1b N    22.2789  -17.6696
            11  C1b C    23.4660  -18.3680
            12  C6a C    24.7228  -17.6696
            13  O6a O    25.9099  -18.3680
            14  O6a O    12.5731  -16.2732
            15  N1a N    13.8300  -19.7644
            16  O5a O    17.4610  -16.2732
            17  C1b C    19.8351  -16.2732
            18  S2a S    21.0221  -15.5748
            19  O5a O    21.0919  -19.7644
            20  O6a O    24.7228  -16.2732
            21  C1d C    21.0221  -14.1788
            22  C2b C    22.2246  -13.4844
            23  C1b C    19.8026  -13.4748
            24  C2a C    23.4097  -14.1688
            25  O1a O    18.6093  -14.1640
            26  C1a C    21.0221  -12.6431
BOND        25
            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   21  23 1
            23   22  24 2
            24   23  25 1
            25   21  26 1

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