KEGG   DRUG: Valnemulin hydrochloride
Entry
D08666                      Drug                                   
Name
Valnemulin hydrochloride (BAN);
Econor (TN)
Formula
C31H52N2O5S. HCl
Exact mass
600.3364
Mol weight
601.28
Structure
Simcomp
Class
Antibacterial
 DG01813  Pleuromutilin
Remark
Chemical structure group: DG01438
Efficacy
Antibiotic (veterinary), Protein biosynthesis inhibitor
Comment
Veterinary medicine
Pleuromutilin [CPD:C09169] derivative
Target
50S ribosomal subunit
  Pathway
ko03010  Ribosome
Brite
Animal drugs in Japan [BR:br08331]
 97  Agents against pathogenic micro-organisms and parasites (except biological products and disinfectants)
  976  Antibiotic preparations
   9762  Antibiotic preparations for peroral and feed additive use
    D08666  Valnemulin hydrochloride
Drug groups [BR:br08330]
 Antibacterial
  DG01813  Pleuromutilin
   DG01438  Valnemulin
    D08666  Valnemulin hydrochloride
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Pleuromutilin
    D08666  Valnemulin hydrochloride (BAN)
Drug groups [BR:br08330]
 Antibacterial
  DG01813  Pleuromutilin
   DG01438  Valnemulin
Other DBs
PubChem: 96025349
LigandBox: D08666
LinkDB
KCF data

ATOM        40
            1   C1z C    31.9200  -18.6200
            2   C1y C    30.9400  -19.6000
            3   C1y C    31.9200  -17.2200
            4   C1x C    33.1800  -19.2500
            5   C1x C    31.9200  -20.0200
            6   C1z C    29.4700  -19.6000
            7   C5x C    31.5700  -20.8600
            8   C1y C    30.9400  -16.2400
            9   C1a C    33.1800  -16.6600
            10  C1x C    32.9700  -20.6500
            11  C1x C    30.5900  -20.0200
            12  C1y C    28.4900  -18.6200
            13  C1y C    29.4700  -21.0000
            14  C1a C    28.6300  -20.7900
            15  O5x O    30.9400  -22.1200
            16  C1z C    29.4700  -16.2400
            17  O1a O    31.4300  -14.9100
            18  C1x C    28.4900  -17.2200
            19  O7a O    27.1600  -19.1800
            20  C1a C    29.0500  -22.3300
            21  C2b C    29.8200  -14.8400
            22  C1a C    28.9100  -14.9100
            23  C7a C    25.9700  -18.4800
            24  C2a C    29.4700  -13.5100
            25  C1b C    24.7100  -19.1800
            26  O6a O    25.9700  -17.0800
            27  S2a S    23.5200  -18.4800
            28  C1d C    22.3300  -19.1100
            29  C1b C    21.1400  -18.4100
            30  N1b N    19.8800  -19.1100
            31  C5a C    18.6900  -18.4100
            32  C1c C    17.5000  -19.1100
            33  C1c C    16.3100  -18.4100
            34  C1a C    15.1200  -19.1100
            35  C1a C    21.6300  -20.3700
            36  C1a C    23.0300  -20.3700
            37  O5a O    18.6900  -17.0800
            38  N1a N    17.5000  -20.5100
            39  C1a C    16.3100  -17.0800
            40  X   Cl   22.7500  -14.0000
BOND        41
            1     6  13 1 #Up
            2     6  14 1 #Down
            3     7  15 2
            4     8  16 1
            5     8  17 1 #Up
            6    12  18 1
            7    12  19 1 #Down
            8    13  20 1
            9    16  21 1 #Up
            10   16  22 1 #Down
            11   19  23 1
            12   21  24 2
            13   23  25 1
            14   23  26 2
            15   25  27 1
            16    7  10 1
            17   11  13 1
            18   16  18 1
            19   27  28 1
            20    1   2 1
            21   28  29 1
            22    1   3 1
            23   29  30 1
            24    1   4 1
            25   30  31 1
            26    1   5 1 #Up
            27   31  32 1
            28    2   6 1
            29   32  33 1
            30    2   7 1
            31   33  34 1
            32    3   8 1
            33   28  35 1
            34    3   9 1 #Down
            35   28  36 1
            36    4  10 1
            37   31  37 2
            38    5  11 1
            39   32  38 1
            40    6  12 1
            41   33  39 1

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