KEGG   COMPOUND: C00245
Entry
C00245                      Compound                               
Name
Taurine;
2-Aminoethanesulfonic acid;
Aminoethylsulfonic acid
Formula
C2H7NO3S
Exact mass
125.0147
Mol weight
125.15
Structure
Remark
Same as: D00047
Reaction
R01682 R01683 R01684 R01685 R01686 R01687 R02797 R03720
R03977 R04487 R05320 R05652 R07167 R08745 R12959
Pathway
map00120  Primary bile acid biosynthesis
map00430  Taurine and hypotaurine metabolism
map00920  Sulfur metabolism
map01100  Metabolic pathways
map02010  ABC transporters
map04080  Neuroactive ligand-receptor interaction
Enzyme
1.4.2.-         1.4.99.2        1.5.1.23        1.8.1.-         
1.14.11.17      2.1.4.1         2.3.1.65        2.3.2.2         
2.6.1.55        2.6.1.77        3.5.1.24        3.5.1.74        
4.1.1.15        4.1.1.29        4.1.1.122
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  11  Agents affecting central nervous system
   119  Miscellaneous
    1190  Miscellaneous
     D00047  Taurine (JP18/USP/INN); Aminoethylsulfonic acid (JAN)
 2  Agents affecting individual organs
  21  Cardiovascular agents
   211  Cardiotonics
    2119  Others
     D00047  Taurine (JP18/USP/INN); Aminoethylsulfonic acid (JAN)
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   391  Liver disease agents
    3919  Others
     D00047  Taurine (JP18/USP/INN); Aminoethylsulfonic acid (JAN)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for ophthalmologic use
  62 General eye drops
   D00047  Taurine (JP18/USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Aminoethylsulfonic acid; Taurine
    D00047  Taurine (JP18/USP/INN)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00047  Taurine
Other DBs
CAS: 107-35-7
PubChem: 3544
ChEBI: 15891
KNApSAcK: C00048188
PDB-CCD: TAU[PDBj]
NIKKAJI: J5.056C
LinkDB
KCF data

ATOM        7
            1   C1b C    26.3067  -17.5328
            2   S4a S    27.5163  -16.8350
            3   C1b C    25.0914  -16.8350
            4   O1d O    28.7256  -17.5328
            5   N1a N    23.8820  -17.5328
            6   O1d O    28.6445  -15.9863
            7   O1d O    26.3056  -16.1360
BOND        6
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 1
            5     2   6 2
            6     2   7 2

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