KEGG   DRUG: Eravacycline dihydrochlorideHelp
Entry
D10421                      Drug                                   

Name
Eravacycline dihydrochloride (USAN)
Product
Formula
C27H31FN4O8. 2HCl
Exact mass
630.1659
Mol weight
631.4773
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01197  Tetracycline antibiotic
Remark
Chemical structure group: DG01199
Product (DG01199): D10421<US>
Efficacy
Antibiotic, Protein biosynthesis inhibitor
Target
30S ribosomal subunit
Interaction
Drug interaction
Other DBs
CAS: 1334714-66-7
PubChem: 172232514
ChEMBL: CHEMBL2219414
LinkDB All DBs
KCF data Show

ATOM        42
            1   C2y C    28.0700  -16.3800
            2   C2y C    28.0700  -17.7800
            3   C5x C    26.8800  -18.4800
            4   C1y C    26.8800  -15.6800
            5   C1y C    25.6900  -16.3800
            6   C1z C    25.6900  -17.7800
            7   C2y C    24.5000  -18.4800
            8   C1x C    24.5000  -15.6800
            9   C1y C    23.2400  -16.3800
            10  C2y C    23.2400  -17.7800
            11  C5x C    21.9800  -18.4800
            12  C1x C    21.9100  -15.6800
            13  C8y C    20.8600  -16.3800
            14  C8y C    20.8600  -17.7800
            15  C8y C    19.6700  -18.4800
            16  C8y C    18.4100  -17.8500
            17  C8x C    18.4100  -16.4500
            18  C8y C    19.6000  -15.6800
            19  N1b N    17.2200  -18.5500
            20  C5a C    16.0300  -17.8500
            21  O5x O    26.8800  -19.8800
            22  O1a O    24.5000  -19.8800
            23  O5x O    21.9800  -19.8800
            24  O1a O    19.6700  -19.9500
            25  O5a O    16.0300  -16.4500
            26  X   F    19.6000  -14.2800
            27  O1a O    29.3300  -15.6800
            28  C5a C    29.3300  -18.4800
            29  N1a N    30.4500  -17.7800
            30  O5a O    29.3300  -19.8800
            31  O1a O    25.6900  -19.1800
            32  C1b C    14.8400  -18.5500
            33  N1y N    13.6500  -17.8500
            34  C1x C    13.6500  -16.5200
            35  C1x C    12.3200  -16.0300
            36  C1x C    11.5500  -17.2200
            37  C1x C    12.3200  -18.3400
            38  N1c N    26.8800  -14.2800
            39  C1a C    28.0700  -13.5800
            40  C1a C    25.6900  -13.5800
            41  X   Cl   33.9500  -15.6800
            42  X   Cl   33.9500  -15.6800
BOND        44
            1     5   4 1
            2     4   1 1
            3     9  10 1
            4    10  11 1
            5    11  14 1
            6    13  12 1
            7    12   9 1
            8     1   2 2
            9     2   3 1
            10    5   6 1
            11    6   7 1
            12    3  21 2
            13    7  10 2
            14    7  22 1
            15   13  14 1
            16   11  23 2
            17   14  15 2
            18   15  24 1
            19   15  16 1
            20   16  17 2
            21   17  18 1
            22   18  13 2
            23    9   8 1
            24   16  19 1
            25    8   5 1
            26   19  20 1
            27    3   6 1
            28   20  25 2
            29   18  26 1
            30    1  27 1
            31    2  28 1
            32   28  29 1
            33   28  30 2
            34    6  31 1 #Down
            35   20  32 1
            36   32  33 1
            37   33  34 1
            38   34  35 1
            39   35  36 1
            40   36  37 1
            41   33  37 1
            42    4  38 1 #Down
            43   38  39 1
            44   38  40 1
BRACKET     1    32.5500  -16.8000   32.5500  -14.6300
            1    35.2800  -14.6300   35.2800  -16.8000
            1  2
 ORIGINAL  1   43
 REPEAT    1   44

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