Entry |
|
Name |
Monoammonium glycyrrhizinate
|
Formula |
C42H62O16. NH3
|
Exact mass |
839.4303
|
Mol weight |
839.9626
|
Structure |

|
Remark |
|
Brite |
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Glycyrrhizin
D04987 Monoammonium glycyrrhizinate (JAN)
Animal drugs in Japan [BR:br08331]
91 Agents affecting nervous system
913 Antipyretics, analgesics and antiinflammatory
9139 Other antipyretics, analgesics and antiinflammatory
C18610 Monoammonium glycyrrhizinate
Target-based classification of drugs [BR:br08310]
Enzymes
Oxidoreductases (EC1)
Dehydrogenases
HSD11B1
D04987 Monoammonium glycyrrhizinate (JAN)
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Other DBs |
|
LinkDB |
|
KCF data |
ATOM 59
1 C1y C 24.6400 -16.8000
2 C1z C 25.7600 -17.4300
3 C1z C 23.5200 -17.3600
4 C5x C 24.6400 -15.4700
5 C1z C 26.8800 -16.7300
6 C1x C 25.7600 -18.7600
7 C1a C 26.9500 -18.1300
8 C1y C 23.5200 -18.7600
9 C1x C 22.3300 -16.8000
10 C2x C 25.7600 -14.8400
11 O5x O 23.4500 -14.8400
12 C2y C 26.8800 -15.4700
13 C1x C 28.0000 -17.4300
14 C1a C 27.7900 -15.7500
15 C1x C 24.6400 -19.3900
16 C1z C 22.4000 -19.4600
17 C1x C 21.2100 -17.5000
18 C1y C 28.0000 -14.8400
19 C1x C 29.1200 -16.9400
20 C1y C 21.2100 -18.7600
21 C1z C 29.1200 -15.4700
22 C1x C 28.0000 -13.5100
23 O2a O 18.9000 -20.3000
24 C1x C 30.2400 -14.7700
25 C1a C 30.3100 -16.1700
26 C1z C 29.1200 -12.8100
27 C1y C 21.1400 -23.1000
28 C1x C 30.2400 -13.5100
29 C6a C 30.3100 -12.1800
30 C1a C 28.1400 -11.9000
31 C1y C 21.1400 -24.4300
32 O2x O 22.3300 -22.4000
33 O6a O 31.5000 -12.8100
34 O2a O 20.0200 -25.1300
35 C1y C 22.3300 -25.1300
36 C1y C 23.5200 -23.1000
37 C1y C 18.8300 -25.8300
38 C1y C 23.5200 -24.4300
39 O1a O 22.3300 -26.4600
40 C6a C 24.7100 -22.4000
41 O2x O 17.6400 -25.1300
42 C1y C 18.8300 -27.1600
43 O1a O 24.7100 -25.1300
44 O6a O 24.7100 -21.0700
45 C1y C 16.4500 -25.8300
46 C1y C 17.6400 -27.8600
47 O1a O 20.0200 -27.8600
48 C1y C 16.4500 -27.1600
49 C6a C 15.2600 -25.1300
50 O1a O 17.6400 -29.1900
51 O1a O 15.2600 -27.8600
52 O6a O 15.3300 -23.8000
53 C1a C 23.5200 -15.8200
54 C1a C 21.5600 -20.5800
55 C1a C 22.6800 -20.7900
56 O6a O 25.9000 -23.1000
57 O6a O 14.0000 -25.7600
58 O6a O 30.3100 -10.7800
59 N0 N 36.1900 -20.8600
BOND 64
1 1 3 1
2 1 4 1
3 2 5 1
4 2 6 1
5 2 7 1 #Up
6 3 8 1
7 3 9 1
8 4 10 1
9 4 11 2
10 5 12 1
11 5 13 1
12 5 14 1 #Down
13 6 15 1
14 8 16 1
15 9 17 1
16 12 18 1
17 13 19 1
18 16 20 1
19 18 21 1
20 18 22 1
21 20 23 1 #Up
22 21 24 1
23 21 25 1 #Up
24 22 26 1
25 27 23 1 #Up
26 24 28 1
27 26 29 1 #Up
28 26 30 1 #Down
29 27 31 1
30 27 32 1
31 29 33 1
32 31 34 1 #Up
33 31 35 1
34 32 36 1
35 37 34 1 #Up
36 35 38 1
37 35 39 1 #Down
38 36 40 1 #Down
39 37 41 1
40 37 42 1
41 38 43 1 #Up
42 40 44 2
43 41 45 1
44 42 46 1
45 42 47 1 #Down
46 45 48 1
47 45 49 1 #Up
48 46 50 1 #Up
49 48 51 1 #Down
50 49 52 2
51 8 15 1
52 10 12 2
53 17 20 1
54 19 21 1
55 26 28 1
56 36 38 1
57 46 48 1
58 3 53 1 #Up
59 1 2 1
60 16 54 1 #Up
61 16 55 1 #Down
62 40 56 1
63 49 57 1
64 29 58 2
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