| | COMPOUND: C14805 | |
Entry |
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Name |
1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthalene
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Formula |
C20H24N4O9S
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Exact mass |
496.1264
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Mol weight |
496.491
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Structure |
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Reaction |
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Pathway |
map00980 | Metabolism of xenobiotics by cytochrome P450 |
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Enzyme |
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Other DBs |
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KCF data |
ATOM 34
1 C2x C 26.0317 -17.6394
2 C1y C 26.0317 -19.0197
3 C1y C 27.2049 -19.7099
4 C8y C 28.4472 -19.0197
5 C8y C 28.4472 -17.6394
6 C2x C 27.2049 -16.9493
7 C8x C 29.6205 -19.7099
8 C8x C 30.7937 -19.0197
9 C8x C 30.7937 -17.6394
10 C8y C 29.6205 -16.9493
11 N2b N 29.6205 -15.5690 #+
12 O3a O 30.7937 -14.8788 #-
13 O3a O 28.4472 -14.8788
14 O1a O 27.2049 -21.0902
15 S2a S 24.8584 -19.7099
16 C1c C 26.3767 -22.8156
17 C5a C 27.6190 -23.4367
18 N1b N 25.2035 -23.5057
19 C1b C 26.3767 -21.4353
20 N1b N 28.7923 -22.7466
21 O5a O 27.6190 -24.8170
22 C5a C 23.9612 -22.8846
23 C1b C 29.9655 -23.3677
24 C1b C 22.7879 -23.5748
25 O5a O 23.9612 -21.5043
26 C6a C 31.1388 -22.6776
27 C1b C 21.6147 -22.9536
28 O6a O 32.3811 -23.2987
29 O6a O 31.1388 -21.2973
30 C1c C 20.4414 -23.7128
31 C6a C 19.1991 -23.0226
32 N1a N 20.4414 -25.0931
33 O6a O 18.0949 -23.7818
34 O6a O 19.1991 -21.6423
BOND 35
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 2
11 5 10 1
12 10 11 1
13 11 12 1
14 11 13 2
15 3 14 1
16 2 15 1
17 16 17 1
18 16 18 1
19 16 19 1 #Up
20 17 20 1
21 17 21 2
22 18 22 1
23 20 23 1
24 22 24 1
25 22 25 2
26 23 26 1
27 24 27 1
28 26 28 1
29 26 29 2
30 27 30 1
31 30 31 1
32 30 32 1 #Down
33 31 33 1
34 31 34 2
35 19 15 1
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