 | | COMPOUND: C14793 | |
| Entry |
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| Name |
(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene
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| Formula |
C20H25N3O7S
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| Exact mass |
451.1413
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| Mol weight |
451.4934
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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 31
1 C8x C 19.1006 -19.5883
2 C8x C 19.1006 -20.9875
3 C8x C 20.2899 -21.6871
4 C8y C 21.5492 -20.9875
5 C8y C 21.5492 -19.5883
6 C8x C 20.2899 -18.8886
7 C2x C 22.7386 -21.6871
8 C2x C 23.9280 -20.9875
9 C1y C 23.9280 -19.5883
10 C1y C 22.7386 -18.8886
11 O1a O 25.1173 -18.8886
12 S2a S 22.7386 -17.4893
13 C1c C 23.9979 -15.3205
14 C5a C 22.7386 -14.6208
15 N1b N 25.1873 -14.5509
16 C1b C 23.9979 -16.7197
17 N1b N 21.5492 -15.3904
18 O5a O 22.7386 -13.2216
19 C5a C 26.4466 -15.2505
20 C1b C 20.3599 -14.6908
21 C1b C 27.6360 -14.4809
22 O5a O 26.4466 -16.6497
23 C6a C 19.1705 -15.4604
24 C1b C 28.8253 -15.1106
25 O6a O 17.9112 -14.7608
26 O6a O 19.1705 -16.8596
27 C1c C 30.0147 -14.3410
28 C6a C 31.2740 -15.0406
29 N1a N 30.0147 -12.9417
30 O6a O 32.3934 -14.2710
31 O6a O 31.2740 -16.5098
BOND 32
1 1 2 2
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 2
6 1 6 1
7 4 7 1
8 7 8 2
9 8 9 1
10 9 10 1
11 5 10 1
12 9 11 1 #Down
13 13 14 1
14 13 15 1
15 13 16 1 #Up
16 14 17 1
17 14 18 2
18 15 19 1
19 17 20 1
20 19 21 1
21 19 22 2
22 20 23 1
23 21 24 1
24 23 25 1
25 23 26 2
26 24 27 1
27 27 28 1
28 27 29 1 #Down
29 28 30 1
30 28 31 2
31 16 12 1
32 10 12 1 #Up
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