KEGG   DRUG: Rifametane
Entry
D02551                      Drug                                   
Name
Rifametane (USAN/INN)
Formula
C44H60N4O12
Exact mass
836.4208
Mol weight
836.97
Structure
Simcomp
Class
Antibacterial
 DG01966  Antitubercular
  DG01598  Rifamycin antibiotic
Efficacy
Antibacterial
Comment
Rifamycin [DR:D02549] derivative
Interaction
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01966  Antitubercular
   DG01598  Rifamycin antibiotic
    D02551  Rifametane
Antimicrobials [BR:br08307]
 Antibacterials
  Nucleic acid synthesis inhibitor
   Rifamycin
    D02551  Rifametane (USAN/INN)
Other DBs
CAS: 94168-98-6
PubChem: 17396722
LigandBox: D02551
NIKKAJI: J561.849E
LinkDB
KCF data

ATOM        60
            1   C1c C    13.0900  -20.0200
            2   C1c C    13.0900  -21.4200
            3   O1a O    15.4700  -21.3500
            4   C1c C    15.4700  -20.0200
            5   C1c C    14.2800  -19.3200
            6   C2b C    17.7800  -20.0200
            7   C1c C    16.5900  -19.3200
            8   C5a C    18.9700  -22.1200
            9   C2c C    20.1600  -21.4200
            10  C2b C    20.1600  -20.0200
            11  C2b C    18.9700  -19.3200
            12  C1a C    16.5900  -17.9900
            13  C1a C    14.2800  -17.9900
            14  O1a O    11.9700  -19.1800
            15  C1a C    21.2800  -22.1200
            16  O5a O    17.8500  -21.4200
            17  N1b N    18.9700  -23.7300
            18  C1c C    11.9700  -22.1200
            19  O7a O    10.7800  -21.4200
            20  C1c C    11.9700  -23.7300
            21  C8y C    17.8500  -24.4300
            22  C8y C    17.8500  -25.7600
            23  C8y C    16.5900  -23.7300
            24  C8y C    15.4700  -24.4300
            25  C8y C    15.4700  -25.7600
            26  C8y C    16.5900  -26.4600
            27  C8y C    14.2800  -23.7300
            28  C8y C    13.0900  -24.4300
            29  C8y C    13.0900  -25.7600
            30  C8y C    14.2800  -26.4600
            31  O1a O    16.5900  -22.4000
            32  O1a O    14.2800  -22.4000
            33  C1a C    11.9700  -20.3700
            34  C7a C     9.5900  -20.7900
            35  C1a C     8.4000  -21.4200
            36  O6a O     9.5900  -19.3900
            37  C1c C    10.7800  -24.4300
            38  O2a O     9.6600  -23.7300
            39  C2b C    10.7800  -25.7600
            40  C1a C    10.7800  -22.6800
            41  C1a C     8.4700  -24.4300
            42  C2b C     9.6600  -26.4600
            43  O2a O     9.6600  -27.7900
            44  O2x O    11.9700  -26.4600
            45  C1z C    11.9700  -27.7900
            46  C5x C    14.2800  -27.7900
            47  C1a C    11.9700  -29.1900
            48  C1a C    13.0900  -23.0300
            49  O1a O    16.5900  -27.7900
            50  C2b C    18.9700  -26.4600
            51  O5x O    15.4000  -28.4900
            52  N2b N    20.1600  -25.7600
            53  N2b N    21.3500  -26.4600
            54  C2c C    22.4700  -25.8300
            55  N1c N    23.5900  -26.4600
            56  C1a C    22.4700  -24.4300
            57  C1b C    24.7800  -25.8300
            58  C1b C    23.5900  -27.7900
            59  C1a C    24.7800  -28.4900
            60  C1a C    25.9700  -26.5300
BOND        63
            1     1   2 1
            2     4   3 1 #Down
            3     4   5 1
            4     1   5 1
            5     6   7 1
            6     4   7 1
            7     8   9 1
            8     9  10 2
            9    10  11 1
            10    6  11 2
            11    7  12 1 #Up
            12    5  13 1 #Down
            13    1  14 1 #Down
            14    9  15 1
            15    8  16 2
            16    8  17 1
            17    2  18 1
            18   18  19 1 #Up
            19   18  20 1
            20   17  21 1
            21   21  22 1
            22   21  23 2
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   24  27 2
            27   27  28 1
            28   28  29 2
            29   29  30 1
            30   25  30 2
            31   23  31 1
            32   27  32 1
            33    2  33 1 #Down
            34   19  34 1
            35   34  35 1
            36   34  36 2
            37   26  22 2
            38   20  37 1
            39   37  38 1 #Down
            40   37  39 1
            41   20  40 1 #Up
            42   38  41 1
            43   39  42 2
            44   42  43 1
            45   29  44 1
            46   44  45 1
            47   43  45 1
            48   30  46 1
            49   45  46 1
            50   45  47 1 #Down
            51   28  48 1
            52   26  49 1
            53   22  50 1
            54   51  46 2
            55   50  52 2
            56   52  53 1
            57   53  54 2
            58   54  55 1
            59   54  56 1
            60   55  57 1
            61   55  58 1
            62   58  59 1
            63   57  60 1

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