KEGG   DRUG: D09022Help
Entry
D09022                      Drug                                   

Name
Tomopenem (INN/USAN)
Formula
C23H35N7O6S
Exact mass
537.237
Mol weight
537.6323
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antibiotic
Comment
Carbapenems
Target
penicillin-binding protein (PBP) 2A inhibitor [KO:K12555]
  Pathway
ko00550  Peptidoglycan biosynthesis  
 
Other DBs
CAS: 
222400-20-6
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        37
            1   C1y C    26.2504  -16.4094
            2   C1x C    26.7024  -17.7318
            3   N1y N    28.0997  -17.7106
            4   C1y C    28.5114  -16.3751
            5   C1x C    27.3685  -15.5709
            6   C1y C    19.4600  -14.9100
            7   C5x C    19.4600  -16.2400
            8   N1y N    20.7200  -16.2400
            9   C1y C    20.7200  -14.9100
            10  C2y C    22.0500  -16.6600
            11  C2y C    22.8200  -15.6100
            12  C1y C    22.0500  -14.4900
            13  C6a C    22.4700  -17.9900
            14  O6a O    23.8000  -17.9900
            15  O6a O    21.7000  -19.0400
            16  S2a S    25.1300  -15.6100
            17  C1a C    22.4700  -13.2300
            18  C1c C    18.2700  -14.2100
            19  C1a C    17.0100  -14.9100
            20  O5x O    18.2700  -16.9400
            21  O1a O    18.2700  -12.8100
            22  C5a C    29.7455  -15.4394
            23  N1y N    30.8845  -16.4075
            24  C1x C    31.3132  -17.7700
            25  C1x C    32.7416  -17.7834
            26  C1y C    33.1957  -16.4291
            27  C1x C    32.0480  -15.5787
            28  O5a O    29.7838  -14.0704
            29  N1b N    34.3924  -15.7500
            30  C5a C    35.6049  -16.4500
            31  C1b C    36.8173  -15.7500
            32  N1b N    38.0297  -16.4500
            33  C2c C    39.2422  -15.7500
            34  N1a N    40.4546  -16.4500
            35  O5a O    35.6049  -17.8498
            36  N2a N    39.2422  -14.3503
            37  C1a C    28.9283  -18.8160
BOND        40
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     6   9 1
            10    8  10 1
            11   10  11 2
            12   11  12 1
            13    9  12 1
            14   10  13 1
            15   13  14 1
            16   13  15 2
            17   11  16 1
            18   12  17 1 #Up
            19    6  18 1
            20   18  19 1
            21    7  20 2
            22   18  21 1 #Up
            23    1  16 1 #Up
            24    4  22 1 #Up
            25   23  24 1
            26   24  25 1
            27   25  26 1
            28   26  27 1
            29   23  27 1
            30   22  23 1
            31   22  28 2
            32   26  29 1 #Up
            33   29  30 1
            34   30  31 1
            35   31  32 1
            36   32  33 1
            37   33  34 1
            38   30  35 2
            39   33  36 2
            40    3  37 1

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