COMPOUND: C14806
Help
Entry
C14806 Compound
Name
1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene
Formula
C20H24N4O9S
Exact mass
496.1264
Mol weight
496.491
Structure
Mol file
KCF file
DB search
Reaction
R07026
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
2.5.1.18
Other DBs
PubChem:
17395804
ChEBI:
34100
NIKKAJI:
J2.789.446A
LinkDB
All DBs
KCF data
Show
ATOM 34
1 C2x C 26.0400 -17.6400
2 C1y C 26.0400 -19.0400
3 C1y C 27.2300 -19.7400
4 C8y C 28.4200 -19.0400
5 C8y C 28.4200 -17.6400
6 C2x C 27.2300 -16.9400
7 C8x C 29.6100 -19.7400
8 C8x C 30.8000 -19.0400
9 C8x C 30.8000 -17.6400
10 C8y C 29.6100 -16.9400
11 N2b N 29.6100 -15.5400 #+
12 O3a O 30.8000 -14.9100 #-
13 O3a O 28.4200 -14.9100
14 S2a S 27.2300 -21.0700
15 O1a O 24.7800 -19.7400
16 C1c C 26.0400 -23.1700
17 C5a C 27.3000 -23.8000
18 N1b N 24.8500 -23.8700
19 C1b C 26.0400 -21.7700
20 N1b N 28.4200 -23.1000
21 O5a O 27.3000 -25.2000
22 C5a C 23.5900 -23.2400
23 C1b C 29.6100 -23.7300
24 C1b C 22.4700 -23.9400
25 O5a O 23.5900 -21.8400
26 C6a C 30.8000 -23.0300
27 C1b C 21.2800 -23.3100
28 O6a O 32.0600 -23.6600
29 O6a O 30.8000 -21.6300
30 C1c C 20.0900 -24.0800
31 C6a C 18.8300 -23.3800
32 N1a N 20.0900 -25.4100
33 O6a O 17.7100 -24.1500
34 O6a O 18.8300 -21.9800
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 14 1
» Japanese version
DBGET
integrated database retrieval system