KEGG   DRUG: PenimepicyclineHelp
Entry
D07233            Mixture   Drug                                   

Name
Penimepicycline (INN)
Formula
C29H38N4O9. C16H18N2O5S
Exact mass
936.3575
Mol weight
937.0229
Structure
Mol fileKCF fileDB search
Component
Pipacycline, Penicillin V [DR:D05411]
Remark
ATC code: J01AA10
Efficacy
Antibacterial, Protein biosynthesis inhibitor
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01A TETRACYCLINES
    J01AA Tetracyclines
     J01AA10 Penimepicycline
      D07233  Penimepicycline (INN)
BRITE hierarchy
Other DBs
CAS: 4599-60-4
PubChem: 51091571
ChEBI: 75258
ChEMBL: CHEMBL3833378
LigandBox: D07233
NIKKAJI: J300.532A
LinkDB All DBs
KCF data Show

ATOM        66
            1   C8x C     8.9090  -18.1079
            2   C8x C     8.9090  -19.5106
            3   C8y C    10.1715  -20.2120
            4   C8y C    11.3639  -19.5106
            5   C8y C    11.3639  -18.1079
            6   C8x C    10.1715  -17.4065
            7   C5x C    12.5562  -20.2120
            8   C2y C    13.8187  -19.5106
            9   C1y C    13.8187  -18.1079
            10  C1z C    12.5562  -17.4065
            11  C2y C    15.0110  -20.2120
            12  C1z C    16.2034  -19.5106
            13  C1y C    16.2034  -18.1079
            14  C1x C    15.0110  -17.4065
            15  C5x C    17.4659  -20.2120
            16  C2y C    18.6582  -19.5106
            17  C2y C    18.6582  -18.1079
            18  C1y C    17.4659  -17.4065
            19  O1a O    10.1715  -21.6148
            20  O1a O    15.0110  -21.6148
            21  O5x O    12.5562  -21.6148
            22  O5x O    17.4659  -21.6148
            23  C5a C    19.8506  -20.2120
            24  N1b N    21.1131  -19.5106
            25  O1a O    19.8506  -17.4065
            26  O5a O    19.8506  -21.6148
            27  C1b C    22.3054  -20.2120
            28  N1y N    23.4977  -19.5808
            29  C1x C    24.6901  -20.2120
            30  C1x C    25.8824  -19.5106
            31  N1y N    25.8824  -18.1079
            32  C1x C    24.6901  -17.4065
            33  C1x C    23.4977  -18.1079
            34  C1b C    27.1449  -17.4065
            35  C1b C    28.3373  -18.1079
            36  O1a O    29.5296  -17.4065
            37  N1c N    17.4659  -16.0037
            38  C1a C    16.2034  -15.3024
            39  C1a C    18.6582  -15.3024
            40  O1a O    16.2034  -20.9134
            41  C1a C    12.5562  -16.0037
            42  O1a O    11.3639  -16.7051
            43  C1y C    40.2607  -17.6871
            44  C5x C    40.2607  -19.0898
            45  N1y N    41.6635  -19.0898
            46  C1y C    41.6635  -17.6871
            47  C1y C    42.9961  -19.5106
            48  C1z C    43.8378  -18.3884
            49  S2x S    42.9961  -17.2662
            50  C1a C    44.8197  -19.3704
            51  C1a C    44.8197  -17.4065
            52  C6a C    43.4871  -20.8433
            53  O6a O    44.8898  -20.8433
            54  O6a O    42.6454  -21.9655
            55  N1b N    39.0684  -16.9857
            56  C5a C    37.8760  -17.6871
            57  O5x O    39.0684  -19.7912
            58  O5a O    37.8760  -19.0898
            59  C1b C    36.6837  -16.9857
            60  O2a O    35.4913  -17.6871
            61  C8y C    34.2289  -16.9857
            62  C8x C    34.2289  -15.5829
            63  C8x C    33.0365  -14.8815
            64  C8x C    31.8442  -15.5829
            65  C8x C    31.8442  -16.9857
            66  C8x C    33.0365  -17.6871
BOND        72
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    3  19 1
            23   11  20 1
            24    7  21 2
            25   15  22 2
            26   16  23 1
            27   23  24 1
            28   17  25 1
            29   23  26 2
            30   24  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   28  33 1
            38   31  34 1
            39   34  35 1
            40   35  36 1
            41   18  37 1 #Down
            42   37  38 1
            43   37  39 1
            44   12  40 1 #Down
            45   10  41 1 #Down
            46   10  42 1 #Up
            47   43  44 1
            48   44  45 1
            49   45  46 1
            50   43  46 1
            51   45  47 1
            52   47  48 1
            53   48  49 1
            54   46  49 1
            55   48  50 1
            56   48  51 1
            57   47  52 1 #Down
            58   52  53 1
            59   52  54 2
            60   43  55 1 #Up
            61   55  56 1
            62   44  57 2
            63   56  58 2
            64   56  59 1
            65   59  60 1
            66   60  61 1
            67   61  62 2
            68   62  63 1
            69   63  64 2
            70   64  65 1
            71   65  66 2
            72   61  66 1

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