COMPOUND: C14868
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Entry
C14868 Compound
Name
S-(1,2-Dichlorovinyl)glutathione;
DCVG
Formula
C12H17Cl2N3O6S
Exact mass
401.0215
Mol weight
402.25
Structure
Mol file
KCF file
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Reaction
R07100
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
2.5.1.18
Other DBs
PubChem:
17395866
ChEBI:
34957
NIKKAJI:
J1.095.308A
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KCF data
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ATOM 24
1 C1c C 27.2619 -21.1166
2 C5a C 28.4987 -21.7350
3 N1b N 26.0938 -21.8037
4 C1b C 27.2619 -19.7423
5 N1b N 29.6669 -21.0479
6 O5a O 28.4974 -23.3154
7 C5a C 24.9257 -21.1853
8 S2a S 28.4300 -19.0552
9 C1b C 30.8350 -21.6663
10 C1b C 23.7575 -21.8724
11 O5a O 24.9257 -19.8110
12 C6a C 32.0031 -20.9791
13 C1b C 22.5894 -21.2540
14 O6a O 33.1712 -21.5976
15 O6a O 32.0031 -19.6049
16 C1c C 21.4213 -22.0098
17 C6a C 20.1844 -21.3227
18 N1a N 21.4213 -23.3154
19 O6a O 19.0850 -22.1473
20 O6a O 20.1832 -19.9484
21 C2c C 29.1172 -17.1312
22 C2b C 30.4914 -17.1312
23 X Cl 28.4300 -15.8944
24 X Cl 31.1786 -18.2993
BOND 23
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 2
21 21 8 1
22 21 23 1
23 22 24 1
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