KEGG   COMPOUND: C14875
Entry
C14875                      Compound                               

Name
S-(2-Hydroxyethyl)glutathione
Formula
C12H21N3O7S
Exact mass
351.11
Mol weight
351.376
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
CAS: 28747-20-8
PubChem: 17395873
ChEBI: 35896
NIKKAJI: J2.790.495E
KCF data

ATOM        23
            1   C1c C    27.6473  -22.2301
            2   C5a C    28.8710  -22.8853
            3   N1b N    26.4702  -22.9608
            4   C1b C    27.6473  -20.8443
            5   N1b N    30.0480  -22.1548
            6   O5a O    28.8649  -24.4795
            7   C5a C    25.2469  -22.3054
            8   S2a S    28.7547  -20.1137
            9   C1b C    31.2716  -22.8099
            10  C1b C    24.0639  -23.0361
            11  O5a O    25.2468  -20.9197
            12  C6a C    32.4487  -22.0737
            13  C1b C    22.8462  -22.3809
            14  O6a O    33.6723  -22.7288
            15  O6a O    32.4545  -20.6877
            16  C1c C    21.6632  -23.1175
            17  C6a C    20.4398  -22.4621
            18  N1a N    21.7097  -24.5033
            19  O6a O    19.2974  -23.2507
            20  O6a O    20.4630  -21.0705
            21  C1b C    28.7807  -18.7379
            22  C1b C    27.5211  -18.0631
            23  O1a O    27.4765  -16.6398
BOND        22
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    7  11 2
            11    9  12 1
            12   10  13 1
            13   12  14 1
            14   12  15 2
            15   13  16 1
            16   16  17 1
            17   16  18 1 #Down
            18   17  19 1
            19   17  20 2
            20    8  21 1
            21   21  22 1
            22   22  23 1

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