KEGG   COMPOUND: C11045Help
Entry
C11045                      Compound                               

Name
Aspartame
Formula
C14H18N2O5
Exact mass
294.1216
Mol weight
294.3031
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Pharmaceutical additives [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
    taste receptor type 1
     Aspartame
      D02381  Aspartame (NF/INN)
BRITE hierarchy
Other DBs
CAS: 
22839-47-0
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

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

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