KEGG   COMPOUND: C12283Help
Entry
C12283                      Compound                               

Name
Saccharin
Formula
C7H5NO3S
Exact mass
182.999
Mol weight
183.1845
Structure
Mol fileKCF fileDB search
Remark
Same as: D01085
Pathway
map04742  Taste transduction
Brite
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C12283  Saccharin
Pharmaceutical additives in Japan [BR:br08316]
 Sweetening agent
  D01085  [106066] Saccharin
 Flavoring substance
  D01085  [106066] Saccharin
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01085  Saccharin
BRITE hierarchy
Other DBs
CAS: 81-07-2
PubChem: 14427
ChEMBL: CHEMBL310671
PDB-CCD: LSA[PDBj]
KCF data Show

ATOM        12
            1   C8y C    25.6986  -16.8988
            2   C8y C    25.6924  -18.2957
            3   S2x S    27.0193  -18.7311
            4   N1x N    27.8410  -17.6033
            5   C5x C    27.0293  -16.4683
            6   C8x C    23.2725  -18.3002
            7   C8x C    24.4857  -18.9985
            8   C8x C    24.4891  -16.1970
            9   C8x C    23.2742  -16.8995
            10  O5x O    27.3846  -15.1051
            11  O3c O    26.1249  -19.8165
            12  O3c O    28.3467  -19.1863
BOND        13
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     6   7 2
            5     7   2 1
            6     1   8 1
            7     8   9 2
            8     9   6 1
            9     4   5 1
            10    5  10 2
            11    5   1 1
            12    3  11 2
            13    3  12 2

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