COMPOUND: C21539
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Entry
C21539 Compound
Name
(E)-1-(Glutathione-S-yl)-omega-(methylthio)alkylhydroximate;
S-[(1E)-1-(Hydroxyimino)-omega-(methylsulfanyl)alkyl]-L-glutathione
Formula
C14H24N4O7S2(CH2)n
Structure
Mol file
KCF file
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Comment
Generic compound in reaction hierarchy
Reaction
R11650
R11652
R11792
Enzyme
1.14.14.43
3.4.19.16
Other DBs
PubChem:
336445177
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KCF data
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ATOM 28
1 N1b N 15.6297 -17.9200
2 C5a C 16.8422 -18.6200
3 C1c C 18.0546 -17.9200
4 C6a C 13.2049 -17.9200
5 C1b C 14.4173 -18.6200
6 O6a O 11.9924 -18.6200
7 N1b N 19.2670 -18.6200
8 C5a C 20.4795 -17.9200
9 O5a O 20.4795 -16.5200
10 C1b C 21.6919 -18.6200
11 C1b C 22.9044 -17.9200
12 C1c C 24.1168 -18.6200
13 C6a C 25.3292 -17.9200
14 O6a O 25.3292 -16.5200
15 O6a O 26.5417 -18.6200
16 C1a C 10.7800 -13.7200
17 S2a S 11.9924 -14.4200
18 C1b C 13.2049 -13.7200
19 C1b C 14.4173 -14.4200
20 C1b C 15.6297 -13.7200
21 C2c C 16.8422 -14.4200
22 S2a S 16.8422 -15.8200
23 C1b C 18.0546 -16.5200
24 N2b N 18.0546 -13.7200
25 O6a O 13.2049 -16.5200
26 O5a O 16.8422 -20.0200
27 N1a N 24.1168 -20.0200
28 O1b O 18.0546 -12.3200
BOND 27
1 1 2 1
2 2 3 1
3 4 5 1
4 1 5 1
5 4 6 1
6 3 7 1
7 7 8 1
8 8 9 2
9 8 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 2
14 13 15 1
15 16 17 1
16 17 18 1
17 18 19 1
18 19 20 1
19 20 21 1
20 21 22 1
21 22 23 1
22 21 24 2
23 3 23 1 #Down
24 4 25 2
25 2 26 2
26 12 27 1 #Up
27 24 28 1
BRACKET 1 12.7400 -15.1200 12.7400 -13.2300
1 13.9300 -13.2300 13.9300 -15.1200
1 n
ORIGINAL 1 18
REPEAT 1
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