COMPOUND: C14861
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Entry
C14861 Compound
Name
S-(2,2-Dichloro-1-hydroxy)ethyl glutathione
Formula
C12H19Cl2N3O7S
Exact mass
419.0321
Mol weight
420.2662
Structure
Mol file
KCF file
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Reaction
R07091
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
2.5.1.18
Other DBs
PubChem:
17395859
ChEBI:
34958
NIKKAJI:
J2.789.590E
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KCF data
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ATOM 25
1 C1c C 27.3206 -21.3749
2 C5a C 28.5817 -22.0054
3 N1b N 26.1296 -22.0755
4 C1b C 27.3206 -19.9737
5 N1b N 29.7726 -21.3048
6 O5a O 28.5817 -23.6167
7 C5a C 24.9387 -21.4449
8 S2a S 28.5116 -19.2732
9 C1b C 30.9636 -21.9353
10 C1b C 23.7477 -22.1455
11 O5a O 24.9387 -20.0438
12 C6a C 32.1546 -21.2348
13 C1b C 22.5567 -21.5150
14 O6a O 33.3456 -21.8653
15 O6a O 32.1546 -19.8336
16 C1c C 21.3657 -22.2856
17 C6a C 20.1047 -21.5851
18 N1a N 21.3657 -23.6167
19 O6a O 18.9838 -22.4257
20 O6a O 20.1047 -20.1839
21 X Cl 26.1296 -17.8019
22 C1c C 27.3206 -17.1014
23 C1c C 28.5116 -17.8019
24 O1a O 29.7726 -17.1014
25 X Cl 27.3206 -15.7002
BOND 24
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 21 22 1
21 22 23 1
22 23 24 1
23 23 8 1
24 22 25 1
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