KEGG   COMPOUND: C02886
Entry
C02886                      Compound                               
Name
S-Hexyl-glutathione;
S-Hexyl-L-glutathione
Formula
C16H29N3O6S
Exact mass
391.1777
Mol weight
391.483
Structure
Other DBs
CAS: 24425-56-7
PubChem: 5817
ChEBI: 27704
PDB-CCD: GTX[PDBj] LEE[PDBj]
NIKKAJI: J394.269D
LinkDB
KCF data

ATOM        26
            1   C6a C    20.4431  -14.8878
            2   O6a O    19.2714  -14.2083
            3   O6a O    20.4493  -16.1764
            4   C1c C    27.4860  -14.8878
            5   C5a C    28.6642  -14.2083
            6   N1b N    26.3143  -14.2083
            7   C1b C    27.5110  -16.4896
            8   O5a O    28.6642  -12.8560
            9   C5a C    25.1363  -14.8878
            10  S2a S    26.2084  -17.2437
            11  C1b C    23.9645  -14.2083
            12  O5a O    25.1363  -16.1764
            13  C1b C    26.2084  -18.6025
            14  C1b C    22.7929  -14.8878
            15  C1b C    25.0367  -19.2818
            16  C1c C    21.6148  -14.2083
            17  C1b C    23.8586  -18.6025
            18  N1a N    21.6148  -12.8560
            19  C1b C    22.6868  -19.2818
            20  C1b C    21.5152  -18.6025
            21  C1a C    20.3371  -19.2818
            22  N1b N    29.8424  -14.9100
            23  C1b C    31.0549  -14.2100
            24  C6a C    32.2673  -14.9100
            25  O6a O    33.4797  -14.2100
            26  O6a O    32.2673  -16.3100
BOND        25
            1     1   2 1
            2     1   3 2
            3     4   5 1
            4     4   6 1
            5     4   7 1 #Down
            6     5   8 2
            7     6   9 1
            8     7  10 1
            9     9  11 1
            10    9  12 2
            11   10  13 1
            12   11  14 1
            13   13  15 1
            14   14  16 1
            15   15  17 1
            16   16  18 1 #Up
            17   17  19 1
            18   19  20 1
            19   20  21 1
            20    5  22 1
            21   22  23 1
            22   23  24 1
            23   24  25 1
            24   24  26 2
            25    1  16 1

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