KEGG   COMPOUND: C11303
Entry
C11303                      Compound                               
Name
S-Decyl GSH;
S-Decyl glutathione
Formula
C20H37N3O6S
Exact mass
447.2403
Mol weight
447.5893
Structure
Other DBs
PubChem: 13478
ChEBI: 8955
NIKKAJI: J516.087A
LinkDB
KCF data

ATOM        30
            1   C1c C    31.0810  -18.3012
            2   C5a C    32.2854  -17.6071
            3   N1b N    29.8824  -17.6071
            4   C1b C    31.1044  -19.9316
            5   O5a O    32.2854  -16.2249
            6   C5a C    28.6851  -18.3012
            7   S2a S    29.7759  -20.7028
            8   C1b C    27.4866  -17.6071
            9   O5a O    28.6851  -19.6894
            10  C1b C    29.7759  -22.0912
            11  C1b C    26.2880  -18.3012
            12  C1b C    28.5775  -22.7851
            13  C1c C    25.0836  -17.6071
            14  C1b C    27.3800  -22.0912
            15  C6a C    23.8921  -18.3012
            16  N1a N    25.0836  -16.2249
            17  C1b C    26.1815  -22.7851
            18  O6a O    22.6936  -17.6071
            19  O6a O    23.8979  -19.6894
            20  C1b C    24.9830  -22.0912
            21  C1b C    23.7856  -22.7851
            22  C1b C    22.5818  -22.0898
            23  C1b C    21.3772  -22.7837
            24  N1b N    33.4896  -18.3020
            25  C1b C    34.6869  -17.6076
            26  C6a C    35.8909  -18.3026
            27  O6a O    37.0953  -17.6081
            28  O6a O    35.8907  -19.6919
            29  C1b C    20.1736  -22.0885
            30  C1a C    18.9761  -22.7824
BOND        29
            1     7  10 1
            2     8  11 1
            3    10  12 1
            4    11  13 1
            5    12  14 1
            6    13  15 1 #Up
            7    13  16 1
            8    14  17 1
            9    15  18 1
            10   15  19 2
            11   17  20 1
            12   20  21 1
            13   21  22 1
            14    1   2 1
            15   22  23 1
            16    1   3 1
            17    2  24 1
            18    1   4 1 #Down
            19   24  25 1
            20    2   5 2
            21   25  26 1
            22    3   6 1
            23   26  27 2
            24    4   7 1
            25   26  28 1
            26    6   8 1
            27   23  29 1
            28    6   9 2
            29   29  30 1

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