COMPOUND: C14796
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Entry
C14796 Compound
Name
(1R)-Hydroxy-(2R)-N-acetyl-L-cysteinyl-1,2-dihydronaphthalene
Formula
C15H17NO4S
Exact mass
307.0878
Mol weight
307.3648
Structure
Mol file
KCF file
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Reaction
R07005
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem:
17395794
ChEBI:
33994
NIKKAJI:
J564.066K
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All DBs
KCF data
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ATOM 21
1 C8x C 19.7487 -18.8354
2 C8x C 19.7487 -20.2361
3 C8x C 20.9393 -20.9364
4 C8y C 22.1999 -20.2361
5 C8y C 22.1999 -18.8354
6 C8x C 20.9393 -18.1351
7 C2x C 23.3905 -20.9364
8 C2x C 24.5810 -20.2361
9 C1y C 24.5810 -18.8354
10 C1y C 23.3905 -18.1351
11 S2a S 25.7716 -18.1351
12 C1c C 26.9622 -15.6139
13 C6a C 25.7015 -14.9835
14 N1b N 28.1528 -14.9136
15 C1b C 26.9622 -17.0146
16 O6a O 25.7016 -13.5829
17 C5a C 29.4134 -15.5439
18 C1a C 30.6039 -14.8435
19 O5a O 29.4134 -16.9445
20 O6a O 24.5233 -15.6712
21 O1a O 23.3905 -16.7300
BOND 22
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 12 13 1
14 12 14 1
15 12 15 1 #Up
16 13 16 2
17 14 17 1
18 17 18 1
19 17 19 2
20 15 11 1
21 13 20 1
22 10 21 1 #Up
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