KEGG   DRUG: Omadacycline tosylateHelp
Entry
D09940                      Drug                                   

Name
Omadacycline tosylate (USAN)
Formula
C29H40N4O7. C7H8O3S
Exact mass
728.3091
Mol weight
728.8521
Structure
Mol fileKCF fileDB search
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
Chemical structure group: DG01198
Product (DG01198): D09647<US>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
  Pathway
ko03010  Ribosome
Interaction
Drug interaction
Brite
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09940
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09940
BRITE hierarchy
Other DBs
CAS: 1075240-43-5
PubChem: 135626672
ChEMBL: CHEMBL2103854
LigandBox: D09940
LinkDB All DBs
KCF data Show

ATOM        51
            1   C8y C    24.3647  -28.8449
            2   C8x C    24.3647  -27.4447
            3   C8y C    25.5549  -26.7446
            4   C8y C    26.8151  -27.4447
            5   C8y C    26.8151  -28.8449
            6   C8y C    25.5549  -29.5450
            7   C1x C    28.0053  -26.7446
            8   C1y C    29.1955  -27.4447
            9   C2y C    29.1955  -28.8449
            10  C5x C    28.0053  -29.5450
            11  C1x C    30.5257  -26.7446
            12  C1y C    31.7159  -27.4447
            13  C1z C    31.7159  -28.8449
            14  C2y C    30.5257  -29.5450
            15  C1y C    32.9061  -26.7446
            16  C2y C    34.1664  -27.4447
            17  C2y C    34.1664  -28.8449
            18  C5x C    32.9061  -29.5450
            19  C1b C    23.1745  -29.5450
            20  N1b N    21.9843  -28.8449
            21  C1b C    20.7940  -29.5450
            22  C1d C    19.6038  -28.8449
            23  C1a C    18.4136  -29.5450
            24  C1a C    19.6038  -27.4447
            25  C1a C    18.3436  -28.1448
            26  O5x O    28.0053  -30.9453
            27  O1a O    30.5257  -30.9453
            28  O1a O    25.5549  -30.9453
            29  O5x O    32.9061  -30.9453
            30  O1a O    31.7159  -30.2452
            31  N1c N    32.9061  -25.3443
            32  C5a C    35.3566  -29.5450
            33  N1a N    36.5468  -28.8449
            34  O5a O    35.3566  -30.9453
            35  N1c N    25.5549  -25.3443
            36  C1a C    24.3647  -24.6442
            37  C1a C    26.7451  -24.6442
            38  O1a O    35.3566  -26.7446
            39  C1a C    31.7159  -24.6442
            40  C1a C    34.0963  -24.6442
            41  C8x C    39.2772  -27.4447
            42  C8x C    39.2772  -28.8449
            43  C8y C    40.4898  -29.5450
            44  C8x C    41.7026  -28.8449
            45  C8x C    41.7026  -27.4447
            46  C8y C    40.4898  -26.7446
            47  S4a S    40.4898  -25.3443
            48  O1d O    41.8901  -25.3443
            49  O1d O    40.4898  -23.9441
            50  O1d O    39.0896  -25.3443
            51  C1a C    40.4898  -30.9453
BOND        54
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 2
            17   12  15 1
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   13  18 1
            22    1  19 1
            23   19  20 1
            24   20  21 1
            25   21  22 1
            26   22  23 1
            27   22  24 1
            28   22  25 1
            29   10  26 2
            30   14  27 1
            31    6  28 1
            32   18  29 2
            33   13  30 1 #Down
            34   15  31 1 #Down
            35   17  32 1
            36   32  33 1
            37   32  34 2
            38    3  35 1
            39   35  36 1
            40   35  37 1
            41   16  38 1
            42   31  39 1
            43   31  40 1
            44   41  42 2
            45   42  43 1
            46   43  44 2
            47   44  45 1
            48   45  46 2
            49   41  46 1
            50   46  47 1
            51   47  48 2
            52   47  49 1
            53   47  50 2
            54   43  51 1

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