KEGG   DRUG: TetroxoprimHelp
Entry
D06097                      Drug                                   

Name
Tetroxoprim (USAN/INN)
Formula
C16H22N4O4
Exact mass
334.1641
Mol weight
334.3703
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antibacterial
 DG01581  Trimethoprim antibacterial
 DG01931  Dihydrofolate reductase inhibitor, antibacterial
Efficacy
Antibacterial, Folic acid biosynthesis inhibitor
Comment
Trimethoprim [DR:D00145] derivative
Target
dihydrofolate reductase [KO:K13938]
  Pathway
ko00670  One carbon pool by folate
ko00790  Folate biosynthesis
Interaction
Drug interaction
Other DBs
CAS: 53808-87-0
PubChem: 47207755
ChEMBL: CHEMBL32039
LigandBox: D06097
NIKKAJI: J10.869C
LinkDB All DBs
KCF data Show

ATOM        24
            1   C8y C    24.3640  -18.9454
            2   C1b C    25.5734  -19.6367
            3   C8x C    23.1480  -19.6557
            4   C8x C    24.3640  -17.5375
            5   C8y C    26.7702  -18.9390
            6   C8y C    21.9387  -18.9454
            7   C8y C    23.1480  -16.8402
            8   C8y C    27.9796  -19.6492
            9   C8x C    26.7702  -17.5312
            10  C8y C    21.9387  -17.5375
            11  O2a O    20.7292  -19.6367
            12  O2a O    23.1418  -15.4514
            13  N5x N    29.2018  -18.9390
            14  N1a N    27.9731  -21.0379
            15  N5x N    27.9796  -16.8337
            16  O2a O    20.7355  -16.9101
            17  C1a C    19.5326  -18.9325
            18  C1a C    24.3448  -14.7475
            19  C8y C    29.2018  -17.5312
            20  N1a N    30.4050  -16.8274
            21  C1b C    19.5296  -17.6768
            22  C1b C    18.3024  -17.0369
            23  O2a O    17.1109  -17.7952
            24  C1a C    15.8389  -17.1323
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     3   6 2
            6     4   7 1
            7     5   8 2
            8     5   9 1
            9     6  10 1
            10    6  11 1
            11    7  12 1
            12    8  13 1
            13    8  14 1
            14    9  15 2
            15   10  16 1
            16   11  17 1
            17   12  18 1
            18   13  19 2
            19   19  20 1
            20    7  10 2
            21   15  19 1
            22   16  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1

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