KEGG   COMPOUND: C12284
Entry
C12284                      Compound                               

Name
Saccharin sodium anhydrous
Formula
C7H4NO3S. Na
Exact mass
204.981
Mol weight
205.1663
Structure
Remark
Same as: D08500
Pathway
map04742  Taste transduction
map04973  Carbohydrate digestion and absorption
Other DBs
CAS: 128-44-9
PubChem: 14428
ChEBI: 32112
ChEMBL: CHEMBL2219743
NIKKAJI: J5.174H
LinkDB
KCF data

ATOM        13
            1   C8y C    25.2083  -16.8546
            2   C8y C    25.2022  -18.2504
            3   S2x S    26.5280  -18.6925
            4   N1x N    27.3632  -17.5586 #-
            5   C5x C    26.5451  -16.4245
            6   C8x C    22.7845  -18.2550
            7   C8x C    23.9965  -18.9595
            8   C8x C    23.9999  -16.1533
            9   C8x C    22.7161  -16.8553
            10  O5x O    26.9001  -15.0553
            11  O3c O    25.8289  -19.8969
            12  O3c O    27.7387  -19.3824
            13  Z   Na   29.3300  -17.5700 #+
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

» Japanese version

KEGG   DRUG: Acesulfame potassium
Entry
D08836                      Drug                                   

Name
Acesulfame potassium (NF)
Formula
C4H4NO4S. K
Exact mass
200.9498
Mol weight
201.2422
Structure
Efficacy
Pharmaceutic aid (sweetener)
Comment
food additives
sweetener
Target
TAS1R2 [HSA:80834] [KO:K04625]
TAS1R3 [HSA:83756] [KO:K04626]
  Pathway
hsa04742  Taste transduction
hsa04973  Carbohydrate digestion and absorption
Other map
map04742  Taste transduction
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Chemoreception
    TAS1R2
     D08836  Acesulfame potassium (NF)
    TAS1R3
     D08836  Acesulfame potassium (NF)
Other DBs
CAS: 55589-62-3
PubChem: 96025519
ChEMBL: CHEMBL1351474
LigandBox: D08836
NIKKAJI: J269.091H J303.707J
LinkDB
KCF data

ATOM        11
            1   C8y C    17.7800  -16.0300
            2   C8x C    17.7800  -17.4300
            3   C8y C    18.9924  -18.1300
            4   N4x N    20.2049  -17.4300 #-
            5   S2x S    20.2049  -16.0300
            6   O2x O    18.9924  -15.3300
            7   O3c O    21.5572  -16.3923
            8   O3c O    20.7441  -14.7278
            9   O5x O    18.9924  -19.5298
            10  C1a C    16.5676  -15.3300
            11  Z   K    22.7500  -18.5500 #+
BOND        10
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 2
            8     5   8 2
            9     3   9 2
            10    1  10 1

» Japanese version   » Back

KEGG   COMPOUND: C19378
Entry
C19378                      Compound                               

Name
Cyclamate;
Sodium cyclamate
Formula
C6H12NO3S. Na
Exact mass
201.0436
Mol weight
201.2191
Structure
Remark
Same as: D02443
Pathway
map04742  Taste transduction
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C19378  Cyclamate
Other DBs
CAS: 139-05-9
PubChem: 124490050
ChEBI: 82431
ChEMBL: CHEMBL273977
LinkDB
KCF data

ATOM        12
            1   C1y C    26.8800  -17.2200
            2   N1b N    26.8800  -15.9600
            3   C1x C    25.7600  -17.8500
            4   C1x C    28.0000  -17.8500
            5   S4a S    28.4200  -14.9800
            6   C1x C    25.7600  -19.2500
            7   C1x C    28.0000  -19.2500
            8   O1d O    28.9100  -16.2400 #-
            9   O1d O    29.7500  -14.2800
            10  O1d O    27.7900  -13.5100
            11  C1x C    26.8800  -19.8800
            12  Z   Na   30.8000  -16.2400 #+
BOND        11
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     5   9 2
            9     5  10 2
            10    6  11 1
            11    7  11 1

» Japanese version

KEGG   COMPOUND: C11045
Entry
C11045                      Compound                               

Name
Aspartame
Formula
C14H18N2O5
Exact mass
294.1216
Mol weight
294.3031
Structure
Remark
Same as: D02381
Pathway
map04742  Taste transduction
Brite
Pharmaceutical additives in Japan [BR:br08316]
 Sweetening agent
  D02381  [109295] Aspartame
 Flavoring substance
  D02381  [109295] Aspartame; alpha-Aspartyl-L-Phenylalanine methyl ester
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
CAS: 22839-47-0
PubChem: 13228
ChEBI: 2877
ChEMBL: CHEMBL171679
PDB-CCD: PME[PDBj]
NIKKAJI: J11.477D
LinkDB
KCF data

ATOM        21
            1   C8y C    21.6273  -15.0863
            2   C8x C    22.8405  -15.7916
            3   C8x C    24.0556  -15.0892
            4   C8x C    24.0573  -13.6882
            5   C8x C    22.8439  -12.9899
            6   C8x C    21.6290  -13.6854
            7   O6a O    13.1411  -17.2095
            8   C6a C    14.3543  -17.9010
            9   C1b C    15.5676  -17.2026
            10  C1c C    16.7810  -17.8939
            11  C5a C    17.9873  -17.1955
            12  N1b N    19.2005  -17.8867
            13  C1c C    20.4139  -17.1884
            14  C7a C    21.6273  -17.8798
            15  O7a O    22.8405  -17.1814
            16  C1a C    24.0539  -17.8727
            17  O6a O    14.3473  -19.3046
            18  N1a N    16.7739  -19.2977
            19  O5a O    17.9802  -15.7916
            20  O6a O    21.6202  -19.2835
            21  C1b C    20.4139  -15.7916
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

» Japanese version

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