KEGG   COMPOUND: C12065
Entry
C12065                      Compound                               
Name
Tiamulin
Formula
C28H47NO4S
Exact mass
493.3226
Mol weight
493.7421
Structure
Remark
Same as: D06127
Brite
Drug groups [BR:br08330]
 Antibacterial
  DG01813  Pleuromutilin
   DG01437  Tiamulin
    D06127  Tiamulin
Antimicrobials [BR:br08307]
 Antibacterials
  Protein biosynthesis inhibitor
   Pleuromutilin
    D06127  Tiamulin (USP/INN)
Other DBs
CAS: 55297-95-5
PubChem: 14218
ChEBI: 44137
PDB-CCD: MUL[PDBj]
NIKKAJI: J12.323D
KCF data

ATOM        34
            1   C1z C    37.4081  -23.8820
            2   C1y C    36.4218  -24.8741
            3   C1y C    37.4081  -22.4756
            4   C1x C    38.6630  -24.5240
            5   C1x C    37.4022  -25.2768
            6   C1z C    35.0154  -24.8741
            7   C5x C    37.0521  -26.1290
            8   C1y C    36.4218  -21.4835
            9   C1a C    38.7037  -21.9385
            10  C1x C    38.4410  -25.9129
            11  C1x C    36.0707  -25.3110
            12  C1y C    34.0233  -23.8761
            13  C1y C    35.0095  -26.2748
            14  C1a C    34.1264  -25.9587
            15  O5x O    36.4160  -27.3778
            16  C1z C    35.0154  -21.4835
            17  O1a O    36.9529  -20.1877
            18  C1x C    34.0233  -22.4756
            19  O7a O    32.7218  -24.4189
            20  C1a C    34.6361  -27.6288
            21  C7a C    31.5080  -23.7128
            22  C1b C    30.2939  -24.4189
            23  O6a O    31.5020  -22.3121
            24  S2a S    29.0801  -23.7128
            25  C1b C    27.8743  -24.4064
            26  C1b C    26.6684  -23.7082
            27  N1c N    25.4625  -24.4064
            28  C1b C    24.2566  -23.7082
            29  C1a C    23.0508  -24.4064
            30  C1b C    25.4625  -25.8026
            31  C1a C    24.2532  -26.5008
            32  C2b C    34.4898  -20.2142
            33  C1a C    33.6139  -21.4835
            34  C2a C    34.4898  -18.8127
BOND        36
            1     3   8 1
            2     3   9 1 #Down
            3     4  10 1
            4     5  11 1
            5     6  12 1
            6     6  13 1
            7     6  14 1 #Down
            8     7  15 2
            9     8  16 1
            10    8  17 1 #Up
            11   12  18 1
            12   12  19 1 #Down
            13   13  20 1 #Up
            14   19  21 1
            15   21  22 1
            16   21  23 2
            17   22  24 1
            18    7  10 1
            19   11  13 1
            20   16  18 1
            21   24  25 1
            22    1   2 1
            23   25  26 1
            24    1   3 1
            25   26  27 1
            26    1   4 1
            27   27  28 1
            28    1   5 1 #Up
            29   28  29 1
            30    2   6 1
            31   27  30 1
            32    2   7 1
            33   30  31 1
            34   16  32 1 #Up
            35   16  33 1 #Down
            36   32  34 2

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