NP-MRD: Showing NP-Card for Mycophenolic acid (NP0005145)

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Record Information

Version

1.0

Created at

2020-12-09 02:28:48 UTC

Updated at

2021-08-19 23:59:37 UTC

NP-MRD ID

NP0005145

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Mycophenolic acid

Provided By

NPAtlas

Description

Mycophenolic acid, also known as mycophenolate or acide mycophenolique, belongs to the class of organic compounds known as phthalides. Phthalides are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,. Mycophenolic acid is a drug which is used for the prophylaxis of organ rejection in patients receiving allogeneic renal transplants, administered in combination with cyclosporine and corticosteroids. In humans, mycophenolic acid is involved in the mycophenolic acid metabolism pathway. Mycophenolic acid is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Mycophenolic acid is found in Aspergillus sp., Parastagonospora nodorum, Penicillium echinulatum, Penicillium griseofulvum, Penicillium parvum and Penicillium roqueforti. It was first documented in 1952 (PMID: 14934668). Based on a literature review a significant number of articles have been published on Mycophenolic acid (PMID: 11272311) (PMID: 15470161) (PMID: 16629948) (PMID: 16640327).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306242118173D          

 43 44  0  0  0  0            999 V2000
   -1.7853   -2.7793    1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -2.1986    0.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8914    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -0.4014    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041   -1.2812    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.9345   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    1.7775   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    1.2992   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.2249   -0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -0.0099    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.6418    0.3625 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4337    0.1541    0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.1871   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -0.6454   -1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    1.0814    0.3446 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9439    0.4774    0.7204 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6931   -0.1487   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0157   -1.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -0.9675    0.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    3.1111   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    4.1325   -0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.0329   -0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464    1.7252   -0.4713 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8461   -3.3689    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649   -2.1173    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -3.5629    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3079   -2.2562   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4385   -0.8952   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945   -1.4182    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    2.1615   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -1.2553    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192   -1.5064   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.8140    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.5152   -1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -0.0486   -2.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.0017   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    1.7362    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    1.7865   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    1.3160    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594   -0.1928    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -1.8851    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4327    1.3306   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    1.7219    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10  3  1  0  0  0  0
 23  6  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 19 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -1.7853   -2.7793    1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -2.1986    0.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8914    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -0.4014    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041   -1.2812    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.9345   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    1.7775   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    1.2992   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.2249   -0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -0.0099    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.6418    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.1541    0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.1871   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -0.6454   -1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    1.0814    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9439    0.4774    0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931   -0.1487   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0157   -1.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -0.9675    0.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    3.1111   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    4.1325   -0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.0329   -0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464    1.7252   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -3.3689    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649   -2.1173    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -3.5629    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3079   -2.2562   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4385   -0.8952   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945   -1.4182    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    2.1615   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -1.2553    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192   -1.5064   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.8140    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.5152   -1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -0.0486   -2.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.0017   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    1.7362    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    1.7865   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    1.3160    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594   -0.1928    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -1.8851    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4327    1.3306   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    1.7219    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 10  3  1  0
 23  6  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  5 28  1  0
  5 29  1  0
  9 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 14 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 19 41  1  0
 23 42  1  0
 23 43  1  0
M  END


  Mrv1652306242118173D          

 43 44  0  0  0  0            999 V2000
   -1.7853   -2.7793    1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -2.1986    0.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8914    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -0.4014    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041   -1.2812    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.9345   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    1.7775   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    1.2992   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.2249   -0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -0.0099    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.6418    0.3625 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4337    0.1541    0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.1871   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -0.6454   -1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    1.0814    0.3446 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9439    0.4774    0.7204 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6931   -0.1487   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0157   -1.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -0.9675    0.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    3.1111   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    4.1325   -0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.0329   -0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464    1.7252   -0.4713 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8461   -3.3689    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649   -2.1173    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -3.5629    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3079   -2.2562   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4385   -0.8952   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945   -1.4182    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    2.1615   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -1.2553    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192   -1.5064   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.8140    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.5152   -1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -0.0486   -2.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.0017   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    1.7362    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    1.7865   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    1.3160    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594   -0.1928    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -1.8851    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4327    1.3306   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    1.7219    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
  7 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 10  3  1  0  0  0  0
 23  6  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 19 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0005145

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC(=O)C([H])([H])C([H])([H])C(=C(/[H])C([H])([H])C1=C(O[H])C2=C(C(=C1OC([H])([H])[H])C([H])([H])[H])C([H])([H])OC2=O)\C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+

> <INCHI_KEY>
HPNSFSBZBAHARI-RUDMXATFSA-N

> <FORMULA>
C17H20O6

> <MOLECULAR_WEIGHT>
320.3371

> <EXACT_MASS>
320.125988372

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
32.947780566628595

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

> <ALOGPS_LOGP>
2.36

> <JCHEM_LOGP>
3.5275974476666656

> <ALOGPS_LOGS>
-3.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.758702224079817

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.574787977208779

> <JCHEM_PKA_STRONGEST_BASIC>
-4.068194505368491

> <JCHEM_POLAR_SURFACE_AREA>
93.06

> <JCHEM_REFRACTIVITY>
85.2334

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.55e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mycophenolic acid

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -1.7853   -2.7793    1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -2.1986    0.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8914    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -0.4014    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041   -1.2812    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.9345   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    1.7775   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    1.2992   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.2249   -0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -0.0099    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.6418    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.1541    0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.1871   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -0.6454   -1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    1.0814    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9439    0.4774    0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931   -0.1487   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0157   -1.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -0.9675    0.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    3.1111   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    4.1325   -0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.0329   -0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464    1.7252   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -3.3689    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649   -2.1173    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -3.5629    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3079   -2.2562   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4385   -0.8952   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945   -1.4182    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    2.1615   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -1.2553    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192   -1.5064   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.8140    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.5152   -1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -0.0486   -2.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.0017   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    1.7362    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    1.7865   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    1.3160    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594   -0.1928    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -1.8851    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4327    1.3306   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    1.7219    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 10  3  1  0
 23  6  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  5 28  1  0
  5 29  1  0
  9 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 14 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 19 41  1  0
 23 42  1  0
 23 43  1  0
M  END

HEADER    PROTEIN                                 24-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-21         0                                  
HETATM    1  C   UNK     0      -1.785  -2.779   1.855  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.883  -2.199   0.597  0.00  0.00           O+0
HETATM    3  C   UNK     0      -2.143  -0.891   0.284  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.405  -0.401   0.099  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.604  -1.281   0.229  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.627   0.935  -0.219  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.554   1.778  -0.348  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.240   1.299  -0.162  0.00  0.00           C+0
HETATM    9  O   UNK     0      -0.266   2.225  -0.316  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.049  -0.010   0.148  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.247  -0.642   0.363  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.434   0.154   0.635  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.571   0.187  -0.117  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.612  -0.645  -1.311  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.657   1.081   0.345  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.944   0.477   0.720  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.693  -0.149  -0.340  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.447  -0.016  -1.556  0.00  0.00           O+0
HETATM   19  O   UNK     0       6.780  -0.968   0.063  0.00  0.00           O+0
HETATM   20  C   UNK     0      -3.021   3.111  -0.681  0.00  0.00           C+0
HETATM   21  O   UNK     0      -2.317   4.133  -0.873  0.00  0.00           O+0
HETATM   22  O   UNK     0      -4.421   3.033  -0.746  0.00  0.00           O+0
HETATM   23  C   UNK     0      -4.846   1.725  -0.471  0.00  0.00           C+0
HETATM   24  H   UNK     0      -0.846  -3.369   1.905  0.00  0.00           H+0
HETATM   25  H   UNK     0      -1.965  -2.117   2.711  0.00  0.00           H+0
HETATM   26  H   UNK     0      -2.599  -3.563   1.909  0.00  0.00           H+0
HETATM   27  H   UNK     0      -4.308  -2.256  -0.218  0.00  0.00           H+0
HETATM   28  H   UNK     0      -5.439  -0.895  -0.387  0.00  0.00           H+0
HETATM   29  H   UNK     0      -4.894  -1.418   1.289  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.677   2.162  -0.252  0.00  0.00           H+0
HETATM   31  H   UNK     0       0.132  -1.255   1.369  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.419  -1.506  -0.328  0.00  0.00           H+0
HETATM   33  H   UNK     0       1.484   0.814   1.531  0.00  0.00           H+0
HETATM   34  H   UNK     0       3.273  -1.515  -1.171  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.969  -0.049  -2.196  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.611  -1.002  -1.667  0.00  0.00           H+0
HETATM   37  H   UNK     0       3.326   1.736   1.204  0.00  0.00           H+0
HETATM   38  H   UNK     0       3.862   1.787  -0.536  0.00  0.00           H+0
HETATM   39  H   UNK     0       5.607   1.316   1.126  0.00  0.00           H+0
HETATM   40  H   UNK     0       4.859  -0.193   1.627  0.00  0.00           H+0
HETATM   41  H   UNK     0       6.497  -1.885   0.399  0.00  0.00           H+0
HETATM   42  H   UNK     0      -5.433   1.331  -1.324  0.00  0.00           H+0
HETATM   43  H   UNK     0      -5.457   1.722   0.458  0.00  0.00           H+0
CONECT    1    2   24   25   26                                             
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4   27   28   29                                             
CONECT    6    4    7   23                                                  
CONECT    7    6    8   20                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8   30                                                       
CONECT   10    8   11    3                                                  
CONECT   11   10   12   31   32                                             
CONECT   12   11   13   33                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13   34   35   36                                             
CONECT   15   13   16   37   38                                             
CONECT   16   15   17   39   40                                             
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   41                                                       
CONECT   20    7   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22    6   42   43                                             
CONECT   24    1                                                            
CONECT   25    1                                                            
CONECT   26    1                                                            
CONECT   27    5                                                            
CONECT   28    5                                                            
CONECT   29    5                                                            
CONECT   30    9                                                            
CONECT   31   11                                                            
CONECT   32   11                                                            
CONECT   33   12                                                            
CONECT   34   14                                                            
CONECT   35   14                                                            
CONECT   36   14                                                            
CONECT   37   15                                                            
CONECT   38   15                                                            
CONECT   39   16                                                            
CONECT   40   16                                                            
CONECT   41   19                                                            
CONECT   42   23                                                            
CONECT   43   23                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   88    0
END

RDKit          3D

43 44  0  0  0  0  0  0  0  0999 V2000
   -1.7853   -2.7793    1.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8825   -2.1986    0.5967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.8914    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4047   -0.4014    0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6041   -1.2812    0.2285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6272    0.9345   -0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    1.7775   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2403    1.2992   -0.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    2.2249   -0.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0486   -0.0099    0.1475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2467   -0.6418    0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4337    0.1541    0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5707    0.1871   -0.1168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124   -0.6454   -1.3108 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6570    1.0814    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9439    0.4774    0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931   -0.1487   -0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4475   -0.0157   -1.5556 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7799   -0.9675    0.0625 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0209    3.1111   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3172    4.1325   -0.8726 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4206    3.0329   -0.7461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8464    1.7252   -0.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8461   -3.3689    1.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9649   -2.1173    2.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5988   -3.5629    1.9092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3079   -2.2562   -0.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4385   -0.8952   -0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8945   -1.4182    1.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6772    2.1615   -0.2524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1317   -1.2553    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4192   -1.5064   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4835    0.8140    1.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733   -1.5152   -1.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9692   -0.0486   -2.1965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6105   -1.0017   -1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3265    1.7362    1.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8616    1.7865   -0.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6073    1.3160    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8594   -0.1928    1.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970   -1.8851    0.3988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4327    1.3306   -1.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4568    1.7219    0.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 10  3  1  0
 23  6  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  5 27  1  0
  5 28  1  0
  5 29  1  0
  9 30  1  0
 11 31  1  0
 11 32  1  0
 12 33  1  0
 14 34  1  0
 14 35  1  0
 14 36  1  0
 15 37  1  0
 15 38  1  0
 16 39  1  0
 16 40  1  0
 19 41  1  0
 23 42  1  0
 23 43  1  0
M  END

View in JSmol View NMR Assignments

Synonyms

Value	Source
(e)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoic acid	ChEBI
Acide mycophenolique	ChEBI
Acido micofenolico	ChEBI
Acidum mycophenolicum	ChEBI
Micofenolico acido	ChEBI
Mycophenolate	ChEBI
Mycophenolsaeure	ChEBI
(e)-6-(4-Hydroxy-6-methoxy-7-methyl-3-oxo-5-phthalanyl)-4-methyl-4-hexenoate	Generator
Mycophenoic acid	HMDB
Acid, mycophenolic	HMDB
Cellcept	HMDB
Mofetil hydrochloride, mycophenolate	HMDB
Mofetil, mycophenolate	HMDB
Mycophenolate sodium	HMDB
Mycophenolate, sodium	HMDB
Sodium mycophenolate	HMDB
Mycophenolate mofetil	HMDB
Mycophenolate mofetil hydrochloride	HMDB
Mycophenolic acid morpholinoethyl ester	HMDB
Myfortic	HMDB

Chemical Formula

C₁₇H₂₀O₆

Average Mass

320.3371 Da

Monoisotopic Mass

320.12599 Da

IUPAC Name

(4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enoic acid

Traditional Name

mycophenolic acid

CAS Registry Number

Not Available

SMILES

COC1=C(C)C2=C(C(=O)OC2)C(O)=C1C\C=C(/C)CCC(O)=O

InChI Identifier

InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+

InChI Key

HPNSFSBZBAHARI-RUDMXATFSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aspergillus sp.	NPAtlas	14934668
Parastagonospora nodorum	LOTUS Database	35616633
Penicillium echinulatum (nom. illeg.)	LOTUS Database	35616633
Penicillium griseofulvum	LOTUS Database	35616633
Penicillium parvum	LOTUS Database	35616633
Penicillium roqueforti	LOTUS Database	35616633

Species Where Detected

Species Name	Source	Reference
Penicillium brevicompactum	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phthalides. Phthalides are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Isocoumarans

Sub Class

Isobenzofuranones

Direct Parent

Phthalides

Alternative Parents

Not Available

Substituents

Not Available

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	141.00 to 143.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	611.00 to 612.00 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	22.07 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	2.924 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	2.36	ALOGPS
logP	3.53	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	3.57	ChemAxon
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	93.06 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	85.23 m³·mol⁻¹	ChemAxon
Polarizability	32.95 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA015757

HMDB ID

HMDB0015159

DrugBank ID

DB01024

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00018753

Chemspider ID

393865

KEGG Compound ID

C20380

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Mycophenolic_acid

METLIN ID

Not Available

PubChem Compound

PDB ID

ChEBI ID

Good Scents ID

References

General References

BIRKINSHAW JH, RAISTRICK H, ROSS DJ: Studies in the biochemistry of micro-organisms. 86. The molecular constitution of mycophenolic acid, a metabolic product of Penicillium Brevi-compactum Dierckx. Part III. Further observations on the structural formula for mycophenolic acid. Biochem J. 1952 Mar;50(5):630-4. doi: 10.1042/bj0500630. [PubMed:14934668 ]
Hosotsubo H, Takahara S, Kokado Y, Permpongkosol S, Wang JD, Tanaka T, Matsumiya K, Kitamura M, Okuyama A, Sugimoto H: Rapid and simple determination of mycophenolic acid in human plasma by ion-pair RP-LC with fluorescence detection. J Pharm Biomed Anal. 2001 Feb;24(4):555-60. doi: 10.1016/s0731-7085(00)00442-8. [PubMed:11272311 ]
Picard N, Ratanasavanh D, Premaud A, Le Meur Y, Marquet P: Identification of the UDP-glucuronosyltransferase isoforms involved in mycophenolic acid phase II metabolism. Drug Metab Dispos. 2005 Jan;33(1):139-46. doi: 10.1124/dmd.104.001651. Epub 2004 Oct 6. [PubMed:15470161 ]
Dzidic A, Prgomet C, Mohr A, Meyer K, Bauer J, Meyer HH, Pfaffl MW: Effects of mycophenolic acid on inosine monophosphate dehydrogenase I and II mRNA expression in white blood cells and various tissues in sheep. J Vet Med A Physiol Pathol Clin Med. 2006 May;53(4):163-9. doi: 10.1111/j.1439-0442.2006.00809.x. [PubMed:16629948 ]
Chong CR, Qian DZ, Pan F, Wei Y, Pili R, Sullivan DJ Jr, Liu JO: Identification of type 1 inosine monophosphate dehydrogenase as an antiangiogenic drug target. J Med Chem. 2006 May 4;49(9):2677-80. doi: 10.1021/jm051225t. [PubMed:16640327 ]

Showing NP-Card for Mycophenolic acid (NP0005145)

MOL for NP0005145 (Mycophenolic acid)

3D MOL for NP0005145 (Mycophenolic acid)

3D SDF for NP0005145 (Mycophenolic acid)

3D-SDF for NP0005145 (Mycophenolic acid)

PDB for NP0005145 (Mycophenolic acid)

3D PDB for NP0005145 (Mycophenolic acid)

SMILES for NP0005145 (Mycophenolic acid)

INCHI for NP0005145 (Mycophenolic acid)

Structure for NP0005145 (Mycophenolic acid)

3D Structure for NP0005145 (Mycophenolic acid)