KEGG   COMPOUND: C06834Help
Entry
C06834                      Compound                               

Name
Atorvastatin
Formula
C33H35FN2O5
Exact mass
558.253
Mol weight
558.6398
Structure
Mol fileKCF fileDB search
Remark
Same as: D07474
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C10 LIPID MODIFYING AGENTS
   C10A LIPID MODIFYING AGENTS, PLAIN
    C10AA HMG CoA reductase inhibitors
     C10AA05 Atorvastatin
      D07474  Atorvastatin (INN)
USP drug classification [BR:br08302]
 Cardiovascular Agents
  Dyslipidemics, HMG CoA Reductase Inhibitors
   Atorvastatin
    D07474  Atorvastatin (INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dehydrogenases
    HMGCR
     D07474  Atorvastatin (INN)
BRITE hierarchy
Other DBs
CAS: 134523-00-5
PubChem: 9052
ChEBI: 39548
ChEMBL: CHEMBL1487
PDB-CCD: 117[PDBj]
NIKKAJI: J596.930A
LinkDB All DBs
KCF data Show

ATOM        41
            1   C8y C    27.9715  -18.3988
            2   C8y C    26.6292  -18.3812
            3   C8y C    28.4091  -17.1323
            4   C8y C    28.7419  -19.4841
            5   N4y N    26.2383  -17.1031
            6   C8y C    25.8355  -19.4433
            7   C8y C    27.3296  -16.3269
            8   C5a C    29.6465  -16.3445
            9   C8x C    28.0766  -20.6514
            10  C8x C    30.0724  -19.4841
            11  C1b C    24.9893  -16.2103
            12  C8x C    26.5067  -20.6106
            13  C8x C    24.4933  -19.4491
            14  C1c C    27.3296  -14.6288
            15  N1b N    30.9478  -17.0215
            16  O5a O    29.6464  -15.1248
            17  C8x C    28.7419  -21.8069
            18  C8x C    30.7435  -20.6514
            19  C1b C    23.7638  -17.0156
            20  C8x C    25.8297  -21.7660
            21  C8x C    23.8222  -20.6106
            22  C1a C    28.8060  -13.7883
            23  C1a C    25.8589  -13.7826
            24  C8y C    32.1851  -16.2394
            25  C8x C    30.0782  -21.8069
            26  C1c C    22.4566  -16.3620
            27  C8y C    24.4992  -21.7660
            28  C8x C    32.1851  -14.9029
            29  C8x C    33.3522  -16.9105
            30  C1b C    21.2426  -17.1731
            31  O1a O    22.4390  -14.9556
            32  X   F    23.8222  -22.9156
            33  C8x C    33.3522  -14.2319
            34  C8x C    34.5077  -16.2394
            35  C1c C    19.9881  -16.4087
            36  C8x C    34.5077  -14.9029
            37  C1b C    18.6924  -17.1147
            38  O1a O    20.0231  -14.9380
            39  C6a C    17.4495  -16.3503
            40  O6a O    16.1771  -17.0565
            41  O6a O    17.4260  -14.9205
BOND        44
            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     4  10 2
            10    5  11 1
            11    6  12 2
            12    6  13 1
            13    7  14 1
            14    8  15 1
            15    8  16 2
            16    9  17 2
            17   10  18 1
            18   11  19 1
            19   12  20 1
            20   13  21 2
            21   14  22 1
            22   14  23 1
            23   15  24 1
            24   17  25 1
            25   19  26 1
            26   20  27 2
            27   24  28 2
            28   24  29 1
            29   26  30 1
            30   26  31 1 #Down
            31   27  32 1
            32   28  33 1
            33   29  34 2
            34   30  35 1
            35   33  36 2
            36   35  37 1
            37   35  38 1 #Down
            38   37  39 1
            39   39  40 1
            40   39  41 2
            41    5   7 1
            42   18  25 2
            43   21  27 1
            44   34  36 1

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