KEGG   DRUG: Aspartame acesulfame
Entry
D08862                      Drug                                   
Name
Aspartame acesulfame (NF)
Formula
C14H18N2O5. C4H5NO4S
Exact mass
457.1155
Mol weight
457.4549
Structure
Remark
Chemical structure group: DG01355
Efficacy
Pharmaceutic aid (sweetener)
Target
TAS1R2 [HSA:80834] [KO:K04625]
TAS1R3 [HSA:83756] [KO:K04626]
  Pathway
hsa04742  Taste transduction
hsa04973  Carbohydrate digestion and absorption
Brite
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Metabotropic glutamate receptor family
   Chemoreception
    TAS1R2
     D08862  Aspartame acesulfame (NF)
    TAS1R3
     D08862  Aspartame acesulfame (NF)
Other DBs
CAS: 106372-55-8
PubChem: 96025545
LigandBox: D08862
KCF data

ATOM        31
            1   C8y C    32.4800  -15.5400
            2   C8x C    33.6700  -16.2400
            3   C8x C    34.9300  -15.5400
            4   C8x C    34.9300  -14.1400
            5   C8x C    33.6700  -13.4400
            6   C8x C    32.4800  -14.1400
            7   O6a O    24.0100  -17.6400
            8   C6a C    25.2000  -18.3400
            9   C1b C    26.3900  -17.6400
            10  C1c C    27.6500  -18.3400
            11  C5a C    28.8400  -17.6400
            12  N1b N    30.0300  -18.3400
            13  C1c C    31.2900  -17.6400
            14  C7a C    32.4800  -18.2700
            15  O7a O    33.6700  -17.5700
            16  C1a C    34.9300  -18.2700
            17  O6a O    25.2000  -19.7400
            18  N1a N    27.6500  -19.7400
            19  O5a O    28.8400  -16.2400
            20  O6a O    32.4800  -19.6700
            21  C1b C    31.2900  -16.2400
            22  C8y C    17.0100  -16.8700
            23  C8x C    17.0100  -18.2700
            24  C8y C    18.2000  -18.9700
            25  N4x N    19.3900  -18.2700
            26  S2x S    19.3900  -16.8700
            27  O2x O    18.2000  -16.1700
            28  O3c O    20.7900  -17.2200
            29  O3c O    19.9500  -15.5400
            30  O5x O    18.2000  -20.3700
            31  C1a C    15.8200  -16.1700
BOND        31
            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
            22   22  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   22  27 1
            28   26  28 2
            29   26  29 2
            30   24  30 2
            31   22  31 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (1)   
   PubChem (1)   
Gene (4)   
   KEGG ORTHOLOGY (2)   
   KEGG GENES (2)   
All databases (8)   

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