KEGG   DRUG: Pentisomicin
Entry
D05425                      Drug                                   

Name
Pentisomicin (USAN/INN)
Formula
C19H37N5O7
Exact mass
447.2693
Mol weight
447.5264
Structure
Simcomp
Class
Antibacterial
 DG01447  Aminoglycoside antibiotic
Efficacy
Antibiotic
Interaction
Other DBs
CAS: 55870-64-9
PubChem: 47207096
ChEMBL: CHEMBL2105403
LigandBox: D05425
NIKKAJI: J11.051E
LinkDB
KCF data

ATOM        31
            1   C1y C    10.0514  -11.8050
            2   C1y C    11.3094  -12.5039
            3   C1y C    10.0514  -10.4072
            4   O2a O     8.8632  -12.5039
            5   C1x C    12.4976  -11.8050
            6   N1a N    11.2395  -13.9017
            7   C1y C    11.3094   -9.7083
            8   C1y C     7.6751  -13.2028
            9   C1y C    12.4976  -10.4072
            10  O2a O    11.3094   -8.3104
            11  C1y C     7.6751  -14.6006
            12  O2x O     6.4171  -12.5039
            13  N1a N    13.8255  -10.0577
            14  C1y C    12.5674   -7.6115
            15  C1y C     6.4171  -15.2995
            16  O1a O     8.8632  -15.2995
            17  C1x C     5.2289  -13.2028
            18  O2x O    13.7556   -8.3104
            19  C1y C    12.5674   -6.2137
            20  C1z C     5.2289  -14.6006
            21  N1b N     6.4869  -16.6973
            22  C2y C    14.9437   -7.6115
            23  C1x C    13.7556   -5.5148
            24  N1a N    11.3094   -5.5148
            25  C1a C     5.4386  -17.6758
            26  C2x C    14.9437   -6.2137
            27  C1b C    16.2018   -8.3104
            28  N1a N    16.2018   -9.7083
            29  O1a O     8.8759   -9.7157
            30  C1a C     4.0173  -15.2937
            31  O1a O     4.0165  -13.9006
BOND        33
            1    17  20 1
            2    23  26 1
            3     1   2 1
            4     1   3 1
            5     1   4 1 #Down
            6     2   5 1
            7     2   6 1 #Up
            8     3   7 1
            9     8   4 1 #Down
            10    5   9 1
            11    7  10 1 #Down
            12    8  11 1
            13    8  12 1
            14    9  13 1 #Up
            15   14  10 1 #Down
            16   11  15 1
            17   11  16 1 #Down
            18   12  17 1
            19   14  18 1
            20   14  19 1
            21   15  20 1
            22   15  21 1 #Up
            23   18  22 1
            24   19  23 1
            25   19  24 1 #Down
            26   21  25 1
            27   22  26 2
            28   22  27 1
            29   27  28 1
            30    7   9 1
            31    3  29 1 #Down
            32   20  30 1 #Down
            33   20  31 1 #Up

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