KEGG   DRUG: OxiglutationeHelp
Entry
D00031                      Drug                                   

Name
Oxiglutatione (JAN/INN);
Glutathione (TN)
Formula
C20H32N6O12S2
Exact mass
612.152
Mol weight
612.6311
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C00127
Therapeutic category: 1319
Product: D00031<JP>
Efficacy
Ocular tissue perfusion and lavage
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1319  Others
     D00031  Oxiglutatione (JAN/INN)
BRITE hierarchy
Other DBs
CAS: 27025-41-8
PubChem: 7847099
ChEBI: 17858
ChEMBL: CHEMBL1372
DrugBank: DB03310
PDB-CCD: GDS[PDBj]
LigandBox: D00031
NIKKAJI: J415.688I
LinkDB All DBs
KCF data Show

ATOM        40
            1   O6a O     5.2724   -3.7100
            2   C6a C     6.4849   -4.4100
            3   C1c C     7.6973   -3.7100
            4   C1b C     8.9097   -4.4100
            5   C1b C    10.1222   -3.7100
            6   C5a C    11.3346   -4.4100
            7   N1b N    12.5470   -3.7100
            8   C1c C    13.7595   -4.4100
            9   C5a C    14.9719   -3.7100
            10  N1b N    16.1844   -4.4100
            11  C1b C    17.3968   -3.7100
            12  C6a C    18.6092   -4.4100
            13  O6a O    19.8217   -3.7100
            14  O6a O     6.4849   -5.8098
            15  O5a O    11.3346   -5.8100
            16  N1a N     7.6973   -2.3100
            17  C1b C    13.7595   -5.8097
            18  O5a O    14.9719   -2.3100
            19  O6a O    18.6092   -5.8100
            20  S3a S    12.5699   -6.4966
            21  S3a S    12.5699   -7.8966
            22  C1b C    13.8108   -8.6129
            23  C1c C    13.8109  -10.0098
            24  C5a C    15.0077  -10.7008
            25  N1b N    12.5829  -10.7191
            26  N1b N    16.1953  -10.0150
            27  C1b C    17.3866  -10.7028
            28  C6a C    18.5759  -10.0160
            29  O5a O    15.0079  -12.1097
            30  O6a O    19.7663  -10.7033
            31  O6a O    18.5760   -8.6102
            32  C5a C    11.3794  -10.0244
            33  C1b C    10.1962  -10.7076
            34  O5a O    11.3790   -8.6103
            35  C1b C     9.0027  -10.0185
            36  C1c C     7.8145  -10.7047
            37  C6a C     6.6235  -10.0170
            38  N1a N     7.8145  -12.1098
            39  O6a O     5.4341  -10.7039
            40  O6a O     6.6234   -8.6103
BOND        39
            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   21  22 1
            22   23  22 1 #Up
            23   23  24 1
            24   23  25 1
            25   24  26 1
            26   26  27 1
            27   27  28 1
            28   24  29 2
            29   28  30 1
            30   28  31 2
            31   25  32 1
            32   32  33 1
            33   32  34 2
            34   33  35 1
            35   35  36 1
            36   36  37 1 #Down
            37   36  38 1
            38   37  39 1
            39   37  40 2

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