KEGG   COMPOUND: C12009Help
Entry
C12009                      Compound                               

Name
Telithromycin;
HMR3647;
HMR-3647;
RU66647;
RU-66647
Formula
C43H65N5O10
Exact mass
811.4731
Mol weight
812.0037
Structure
Mol fileKCF fileDB search
Remark
Same as: D01078
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J01 ANTIBACTERIALS FOR SYSTEMIC USE
   J01F MACROLIDES, LINCOSAMIDES AND STREPTOGRAMINS
    J01FA Macrolides
     J01FA15 Telithromycin
      D01078  Telithromycin (JAN/USAN/INN)
Antiinfectives [br08350.html]
 Antibacterials
  D01078
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01078
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01078
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01078
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01078
BRITE hierarchy
Other DBs
CAS: 191114-48-4
PubChem: 14168
ChEBI: 29688
NIKKAJI: J982.785D
LinkDB All DBs
KCF data Show

ATOM        58
            1   C8y C     9.6208  -13.9476
            2   N5x N     9.9704  -15.3171
            3   C8x C    11.3141  -15.3183
            4   N4y N    11.7920  -14.0626
            5   C8x C    10.7483  -13.2114
            6   C8x C     6.1283  -11.9269
            7   N5x N     6.1283  -13.2743
            8   C8x C     7.3100  -13.9479
            9   C8y C     8.4638  -13.2743
            10  C8x C     8.4638  -11.9269
            11  C8x C     7.3100  -11.2600
            12  C1y C    23.2551  -17.0490
            13  C5x C    22.0758  -17.7311
            14  C1y C    23.2551  -15.6909
            15  C1y C    22.0758  -19.0891
            16  C1z C    22.0758  -15.0155
            17  C7x C    20.9165  -19.7711
            18  C1x C    22.0758  -13.6519
            19  O7x O    19.7316  -19.0891
            20  C1y C    20.9165  -12.9754
            21  C1y C    19.7316  -17.7311
            22  C5x C    19.7316  -13.6519
            23  C1y C    19.7316  -15.0155
            24  O5x O    20.9147  -17.0519
            25  C1a C    23.2551  -19.7675
            26  O6a O    20.9178  -21.1312
            27  C1z C    18.5547  -17.0497
            28  C1y C    18.5520  -15.6909
            29  N1y N    16.5169  -15.2794
            30  C7x C    15.7219  -16.3778
            31  O7x O    16.5214  -17.4662
            32  C1a C    18.1989  -18.3500
            33  C1a C    18.5428  -14.3423
            34  O5x O    18.5506  -12.9684
            35  C1a C    20.9178  -11.6183
            36  O2a O    22.7499  -13.5311
            37  C1a C    23.5927  -14.3979
            38  O2a O    24.9454  -15.5329
            39  C1y C    26.4579  -16.0817
            40  C1y C    27.6541  -15.4081
            41  O2x O    26.4356  -17.4463
            42  C1y C    28.8183  -16.0954
            43  O1a O    27.6676  -14.0543
            44  C1y C    27.6256  -18.1506
            45  C1x C    28.8166  -17.4702
            46  N1c N    29.9989  -15.4249
            47  C1a C    27.6202  -19.5076
            48  C1a C    31.1707  -16.1132
            49  C1a C    30.0048  -14.0688
            50  C1a C    24.4433  -17.7280
            51  C1b C    16.5080  -13.9229
            52  C1b C    15.3330  -13.2523
            53  C1b C    14.1667  -13.9383
            54  C1b C    12.9847  -13.2677
            55  O6a O    14.3768  -16.3806
            56  C1b C    18.7694  -18.6731
            57  C1a C    18.7625  -20.0134
            58  C1a C    22.7497  -12.1563
BOND        62
            1     9   1 1
            2    10  11 1
            3    11   6 2
            4     6   7 1
            5     7   8 2
            6     1   2 1
            7     2   3 2
            8     3   4 1
            9     4   5 1
            10    5   1 2
            11    8   9 1
            12    9  10 2
            13   22  34 2
            14   15  17 1
            15   20  35 1 #Down
            16   16  18 1
            17   16  36 1 #Up
            18   17  19 1
            19   16  37 1 #Down
            20   18  20 1
            21   19  21 1
            22   20  22 1
            23   21  27 1
            24   22  23 1
            25   23  28 1
            26   13  24 2
            27   15  25 1 #Up
            28   17  26 2
            29   39  38 1 #Up
            30   39  40 1
            31   39  41 1
            32   40  42 1
            33   40  43 1 #Down
            34   41  44 1
            35   42  45 1
            36   42  46 1 #Up
            37   44  47 1 #Up
            38   46  48 1
            39   46  49 1
            40   44  45 1
            41   14  38 1 #Down
            42   12  50 1 #Up
            43   29  51 1
            44   51  52 1
            45   52  53 1
            46   12  13 1
            47   53  54 1
            48   27  28 1
            49   28  29 1 #Down
            50   29  30 1
            51   30  31 1
            52   27  31 1
            53   12  14 1
            54   30  55 2
            55   27  32 1 #Down
            56   21  56 1 #Down
            57   13  15 1
            58   56  57 1
            59   23  33 1 #Up
            60   14  16 1
            61   36  58 1
            62    4  54 1

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