COMPOUND: C14791
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Entry
C14791 Compound
Name
(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene
Formula
C20H25N3O7S
Exact mass
451.1413
Mol weight
451.4934
Structure
Mol file
KCF file
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Reaction
R07002
R07005
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
2.5.1.18
Other DBs
PubChem:
17395789
ChEBI:
33995
NIKKAJI:
J2.789.352J
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KCF data
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ATOM 31
1 C8x C 17.3282 -18.9421
2 C8x C 17.3282 -20.3452
3 C8x C 18.5208 -21.0467
4 C8y C 19.7835 -20.3452
5 C8y C 19.7835 -18.9421
6 C8x C 18.5208 -18.2406
7 C2x C 20.9761 -21.0467
8 C2x C 22.1687 -20.3452
9 C1y C 22.1687 -18.9421
10 C1y C 20.9761 -18.2406
11 O1a O 20.9761 -16.9779
12 S2a S 23.3613 -18.2406
13 C1c C 24.5539 -15.7151
14 C5a C 23.2911 -15.0837
15 N1b N 25.7465 -15.0136
16 C1b C 24.5539 -17.1182
17 N1b N 22.0985 -15.7853
18 O5a O 23.2913 -13.6807
19 C5a C 27.0092 -15.6450
20 C1b C 20.9059 -15.1539
21 C1b C 28.2018 -14.9434
22 O5a O 27.0092 -17.0480
23 C6a C 19.7134 -15.8554
24 C1b C 29.3944 -15.5748
25 O6a O 18.4506 -15.2240
26 O6a O 19.7134 -17.2585
27 C1c C 30.5870 -14.8031
28 C6a C 31.8498 -15.5046
29 N1a N 30.5870 -13.4001
30 O6a O 32.9722 -14.7330
31 O6a O 31.8498 -16.9077
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 10 11 1 #Up
13 9 12 1 #Down
14 13 14 1
15 13 15 1
16 13 16 1 #Up
17 14 17 1
18 14 18 2
19 15 19 1
20 17 20 1
21 19 21 1
22 19 22 2
23 20 23 1
24 21 24 1
25 23 25 1
26 23 26 2
27 24 27 1
28 27 28 1
29 27 29 1 #Down
30 28 30 1
31 28 31 2
32 16 12 1
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