KEGG   COMPOUND: C18870Help
Entry
C18870                      Compound                               

Name
Selenodiglutathione;
GSSeSG
Formula
C20H32N6O12S2Se
Exact mass
692.0685
Mol weight
691.5911
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00450  Selenocompound metabolism
Other DBs
PubChem: 124489542
ChEBI: 26634
LinkDB All DBs
KCF data Show

ATOM        41
            1   O6a O    21.6300  -13.6500
            2   C6a C    22.8200  -14.3500
            3   C1c C    24.0100  -13.6500
            4   C1b C    25.2700  -14.3500
            5   C1b C    26.4600  -13.6500
            6   C5a C    27.7200  -14.3500
            7   N1b N    28.9100  -13.6500
            8   C1c C    30.1000  -14.3500
            9   C5a C    31.3600  -13.6500
            10  N1b N    32.5500  -14.3500
            11  C1b C    33.7400  -13.6500
            12  C6a C    35.0000  -14.3500
            13  O6a O    36.1900  -13.6500
            14  O6a O    22.8200  -15.7500
            15  O5a O    27.7200  -15.7500
            16  N1a N    24.0100  -12.2500
            17  C1b C    30.1000  -15.7500
            18  O5a O    31.3600  -12.2500
            19  O6a O    35.0000  -15.7500
            20  S2a S    28.9100  -16.4500
            21  Z   Se   29.6100  -17.6400
            22  S2a S    28.9100  -18.8300
            23  C1b C    30.1700  -19.6000
            24  C1c C    30.1700  -21.0000
            25  C5a C    31.3600  -21.6300
            26  N1b N    28.9100  -21.7000
            27  N1b N    32.5500  -21.0000
            28  C1b C    33.7400  -21.6300
            29  C6a C    34.9300  -21.0000
            30  O5a O    31.3600  -23.1000
            31  O6a O    36.1200  -21.6300
            32  O6a O    34.9300  -19.5300
            33  C5a C    27.7200  -21.0000
            34  C1b C    26.5300  -21.7000
            35  O5a O    27.7200  -19.5300
            36  C1b C    25.3400  -21.0000
            37  C1c C    24.1500  -21.7000
            38  C6a C    22.9600  -21.0000
            39  N1a N    24.1500  -23.1000
            40  O6a O    21.7700  -21.6300
            41  O6a O    22.9600  -19.5300
BOND        40
            1     1   2 1
            2     3   2 1 #Up
            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    6  15 2
            15    3  16 1
            16    8  17 1 #Down
            17    9  18 2
            18   12  19 2
            19   17  20 1
            20   20  21 1
            21   22  23 1
            22   24  23 1 #Up
            23   24  25 1
            24   24  26 1
            25   25  27 1
            26   27  28 1
            27   28  29 1
            28   25  30 2
            29   29  31 1
            30   29  32 2
            31   26  33 1
            32   33  34 1
            33   33  35 2
            34   34  36 1
            35   36  37 1
            36   37  38 1 #Down
            37   37  39 1
            38   38  40 1
            39   38  41 2
            40   22  21 1

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