KEGG   COMPOUND: C20380
Entry
C20380                      Compound                               
Name
Mycophenolate
Formula
C17H20O6
Exact mass
320.126
Mol weight
320.3371
Structure
Remark
Same as: D05096
Reaction
R10134
Enzyme
3.1.1.93
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L04 IMMUNOSUPPRESSANTS
   L04A IMMUNOSUPPRESSANTS
    L04AA Selective immunosuppressants
     L04AA06 Mycophenolic acid
      D05096  Mycophenolic acid (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    IMPDH
     D05096  Mycophenolic acid (USAN/INN)
Pharmacogenomic biomarkers [br08341.html]
 Polymorphisms and mutations affecting drug response
  D05096
Prodrugs [br08324.html]
 D05096
Prodrugs [br08324.html]
 C20380
Other DBs
CAS: 24280-93-1
PubChem: 163312118
PDB-CCD: MOA[PDBj]
LinkDB
KCF data

ATOM        23
            1   C8y C    24.3731  -16.9149
            2   C8y C    24.3673  -15.5049
            3   C8y C    23.1613  -17.6081
            4   C1x C    25.7074  -17.3460
            5   C8y C    23.1613  -14.8058
            6   C7x C    25.7014  -15.0736
            7   C8y C    21.9493  -16.9149
            8   C1a C    23.1613  -19.0123
            9   O7x O    26.5288  -16.2099
            10  C8y C    21.9493  -15.5049
            11  O1a O    23.1613  -13.4074
            12  O6a O    26.1385  -13.7395
            13  O2a O    20.7375  -17.6081
            14  C1b C    20.7375  -14.8058
            15  C1a C    20.7375  -19.0123
            16  C2b C    19.5258  -15.4992
            17  C2c C    18.3139  -14.8000
            18  C1b C    17.1077  -15.4932
            19  C1a C    18.3198  -13.4017
            20  C1b C    15.8960  -14.7941
            21  C6a C    14.6842  -15.4815
            22  O6a O    13.4723  -14.7884
            23  O6a O    14.6784  -16.8856
BOND        24
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 1
            14   13  15 1
            15   14  16 1
            16   16  17 2
            17   17  18 1
            18   17  19 1
            19   18  20 1
            20   20  21 1
            21   21  22 1
            22   21  23 2
            23    6   9 1
            24    7  10 1

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