Entry |
|
Name |
Aspartame (NF/INN) |
Formula |
C14H18N2O5
|
Exact mass |
294.1216
|
Mol weight |
294.3031
|
Structure |
|
Simcomp |
|
Remark |
|
Efficacy |
Pharmaceutic aid (sweetener) |
Target |
|
Pathway |
hsa04973 | Carbohydrate digestion and absorption |
|
Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Metabotropic glutamate receptor family
Chemoreception
TAS1R2
D02381 Aspartame (NF/INN)
TAS1R3
D02381 Aspartame (NF/INN)
|
Other DBs |
|
KCF data |
ATOM 21
1 C8y C 21.6348 -15.1239
2 C8x C 22.8469 -15.8287
3 C8x C 24.0611 -15.1268
4 C8x C 24.0628 -13.7269
5 C8x C 22.8503 -13.0293
6 C8x C 21.6365 -13.7241
7 O6a O 13.1555 -17.2454
8 C6a C 14.3678 -17.9364
9 C1b C 15.5801 -17.2385
10 C1c C 16.7925 -17.9293
11 C5a C 17.9977 -17.2314
12 N1b N 19.2100 -17.9221
13 C1c C 20.4224 -17.2243
14 C7a C 21.6348 -17.9152
15 O7a O 22.8469 -17.2173
16 C1a C 24.0594 -17.9547
17 O6a O 14.3608 -19.3388
18 N1a N 16.7854 -19.3319
19 O5a O 17.9906 -15.8287
20 O6a O 21.6044 -19.3177
21 C1b C 20.4224 -15.8287
BOND 21
1 10 11 1
2 5 6 2
3 11 12 1
4 6 1 1
5 12 13 1
6 13 14 1
7 1 2 2
8 14 15 1
9 7 8 1
10 15 16 1
11 2 3 1
12 8 17 2
13 8 9 1
14 10 18 1 #Up
15 3 4 2
16 11 19 2
17 9 10 1
18 14 20 2
19 4 5 1
20 13 21 1 #Up
21 21 1 1
|