| Entry |
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| Name |
Saccharin sodium;
Hermesetas original (TN)
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| Formula |
C7H4NO3S. Na
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| Exact mass |
204.981
|
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| Mol weight |
205.1663
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| Structure |
     |
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| Activity |
Sweetening
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| Remark |
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| Target |
taste receptor type 1 member 2 (TAS1R2) agonist [HSA: 80834] [KO: K04625]; taste receptor type 1 member 3 (TAS1R3) agonist [HSA: 83756] [KO: K04626] |
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| Pathway |
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| Interaction |
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| Structure map |
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| Brite |
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
Metabotropic glutamate receptor family
Chemoreception
taste receptor type 1 [HSA:80834 83756] [KO:K04625 K04626]
Saccharin
D08500 Saccharin sodium
 |
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| Other DBs |
CAS: 128-44-9 PubChem: LigandBox: NIKKAJI: |
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| KCF data |
ATOM 13
1 C8y C 23.4500 -17.3600
2 C8y C 23.4500 -18.7600
3 S2x S 24.7800 -19.1800
4 N1x N 25.6200 -18.0600 #-
5 C5x C 24.7800 -16.9400
6 C8x C 21.0000 -18.7600
7 C8x C 22.2600 -19.4600
8 C8x C 22.2600 -16.6600
9 C8x C 21.0000 -17.3600
10 O5x O 25.1300 -15.5400
11 O3c O 24.0800 -20.3700
12 O3c O 25.9700 -19.8800
13 Z Na 27.3700 -18.1300 #+
BOND 13
1 1 2 2
2 6 7 2
3 7 2 1
4 1 8 1
5 8 9 2
6 9 6 1
7 2 3 1
8 5 10 2
9 3 4 1
10 3 11 2
11 4 5 1
12 3 12 2
13 5 1 1
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