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Showing metabocard for Nitrofurantoin (HMDB0014836)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:45 UTC
HMDB IDHMDB0014836
Secondary Accession Numbers
  • HMDB14836
Metabolite Identification
Common NameNitrofurantoin
DescriptionA bacteriostatic or bactericidal agent depending on the concentration and susceptibility of the infecting organism. Nitrofurantoin is active against some gram positive organisms such as S. aureus, S. epidermidis, S. saprophyticus, Enterococcus faecalis, S. agalactiae, group D streptococci, viridians streptococci and Corynebacterium. Its spectrum of activity against gram negative organisms includes E. coli, Enterobacter, Neisseria, Salmonella and Shigella. It may be used as an alternative to trimethoprim/sulfamethoxazole for treating urinary tract infections though it may be less effective at eradicating vaginal bacteria. May also be used in females as prophylaxis against recurrent cystitis related to coitus. Nitrofurantoin is highly stable to the development of bacterial resistance, a property thought to be due to its multiplicity of mechanisms of action.
Structure
Data?1582753225
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014836 (Nitrofurantoin)

698
  Mrv0541 02231214562D          

 17 18  0  0  0  0            999 V2000
    5.2848    1.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996   -1.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9929    1.4814    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1423    0.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.0940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6896   -1.1756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6573    0.7277    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7696   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5147   -1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8166    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6174    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4243   -0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  2   4  -1   9   1
M  END
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3D MOL for HMDB0014836 (Nitrofurantoin)

HMDB0014836
     RDKit          3D
Nitrofurantoin
 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.4341    0.6391    2.4497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154    0.3397    1.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7509    1.2791    0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    0.7877   -0.4957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    1.4356   -1.6311 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    1.3238   -1.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576    0.5008   -1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    0.3161   -1.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -0.5091   -0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -0.8040    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -1.6392    1.5190 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.0639   -2.1507    1.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.8379    2.2726 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.8640   -0.1844   -0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -0.5839   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588   -1.4748   -1.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6258   -0.8667    0.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2033    2.2931    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363    1.2399    1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171    1.8417   -2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    0.7330   -2.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548   -0.8788   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -1.8000    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
  4 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 14  7  1  0
  3 18  1  0
  3 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 17 23  1  0
M  CHG  2  11   1  13  -1
M  END
Download

3D SDF for HMDB0014836 (Nitrofurantoin)

698
  Mrv0541 02231214562D          

 17 18  0  0  0  0            999 V2000
    5.2848    1.2546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9996   -1.8430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.1360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9929    1.4814    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.1423    0.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.0940    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6896   -1.1756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1022    0.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6573    0.7277    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7696   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5147   -1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4347   -0.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311    0.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8166    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6174    0.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368    0.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4243   -0.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 16  1  0  0  0  0
  2 11  2  0  0  0  0
  3 12  2  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  0  0  0  0
  8 14  2  0  0  0  0
  9 16  1  0  0  0  0
 10 11  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 17  1  0  0  0  0
 16 17  2  0  0  0  0
M  CHG  2   4  -1   9   1
M  END
> <DATABASE_ID>
HMDB0014836

> <DATABASE_NAME>
hmdb

> <SMILES>
[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-

> <INCHI_KEY>
NXFQHRVNIOXGAQ-OQFOIZHKSA-N

> <FORMULA>
C8H6N4O5

> <MOLECULAR_WEIGHT>
238.157

> <EXACT_MASS>
238.033819322

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
19.752422612585807

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[(Z)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
-0.2214499923333333

> <ALOGPS_LOGS>
-2.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.889070784163966

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.233153976788628

> <JCHEM_PKA_STRONGEST_BASIC>
-2.227684112293222

> <JCHEM_POLAR_SURFACE_AREA>
120.72999999999999

> <JCHEM_REFRACTIVITY>
53.11409999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.15e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nitrofurantoin

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0014836 (Nitrofurantoin)

HMDB0014836
     RDKit          3D
Nitrofurantoin
 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.4341    0.6391    2.4497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7154    0.3397    1.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7509    1.2791    0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5191    0.7877   -0.4957 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0442    1.4356   -1.6311 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    1.3238   -1.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0576    0.5008   -1.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4049    0.3161   -1.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9529   -0.5091   -0.5211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112   -0.8040    0.3454 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830   -1.6392    1.5190 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.0639   -2.1507    1.7984 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.8379    2.2726 O   0  0  0  0  0  1  0  0  0  0  0  0
    0.8640   -0.1844   -0.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8929   -0.5839   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6588   -1.4748   -1.3209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6258   -0.8667    0.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2033    2.2931    0.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8363    1.2399    1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5171    1.8417   -2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9508    0.7330   -2.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548   -0.8788   -0.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0371   -1.8000    1.0306 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 10 14  1  0
  4 15  1  0
 15 16  2  0
 15 17  1  0
 17  2  1  0
 14  7  1  0
  3 18  1  0
  3 19  1  0
  6 20  1  0
  8 21  1  0
  9 22  1  0
 17 23  1  0
M  CHG  2  11   1  13  -1
M  END
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PDB for HMDB0014836 (Nitrofurantoin)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 698                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       9.865   2.342   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       7.466  -3.440   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       3.080  -0.254   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      13.053   2.765   0.000  0.00  0.00           O-1
HETATM    5  O   UNK     0      13.332   0.112   0.000  0.00  0.00           O+0
HETATM    6  N   UNK     0       5.791   0.175   0.000  0.00  0.00           N+0
HETATM    7  N   UNK     0       5.021  -2.194   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0       5.791   1.715   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      12.427   1.358   0.000  0.00  0.00           N+1
HETATM   10  C   UNK     0       7.037  -0.730   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.561  -2.194   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.545  -0.730   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.458   1.715   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.124   2.485   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.619   0.184   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.895   1.197   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.125  -0.136   0.000  0.00  0.00           C+0
CONECT    1   13   16                                                       
CONECT    2   11                                                            
CONECT    3   12                                                            
CONECT    4    9                                                            
CONECT    5    9                                                            
CONECT    6    8   10   12                                                  
CONECT    7   11   12                                                       
CONECT    8    6   14                                                       
CONECT    9    4    5   16                                                  
CONECT   10    6   11                                                       
CONECT   11    2    7   10                                                  
CONECT   12    3    6    7                                                  
CONECT   13    1   14   15                                                  
CONECT   14    8   13                                                       
CONECT   15   13   17                                                       
CONECT   16    1    9   17                                                  
CONECT   17   15   16                                                       
MASTER        0    0    0    0    0    0    0    0   17    0   36    0
END
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3D PDB for HMDB0014836 (Nitrofurantoin)

COMPND    HMDB0014836
HETATM    1  O1  UNL     1      -3.434   0.639   2.450  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.715   0.340   1.464  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.751   1.279   0.847  1.00  0.00           C  
HETATM    4  N1  UNL     1      -1.519   0.788  -0.496  1.00  0.00           N  
HETATM    5  N2  UNL     1      -1.044   1.436  -1.631  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.177   1.324  -1.987  1.00  0.00           C  
HETATM    7  C4  UNL     1       1.058   0.501  -1.174  1.00  0.00           C  
HETATM    8  C5  UNL     1       2.405   0.316  -1.479  1.00  0.00           C  
HETATM    9  C6  UNL     1       2.953  -0.509  -0.521  1.00  0.00           C  
HETATM   10  C7  UNL     1       1.911  -0.804   0.345  1.00  0.00           C  
HETATM   11  N3  UNL     1       1.983  -1.639   1.519  1.00  0.00           N1+
HETATM   12  O2  UNL     1       3.064  -2.151   1.798  1.00  0.00           O  
HETATM   13  O3  UNL     1       0.880  -1.838   2.273  1.00  0.00           O1-
HETATM   14  O4  UNL     1       0.864  -0.184  -0.104  1.00  0.00           O  
HETATM   15  C8  UNL     1      -1.893  -0.584  -0.470  1.00  0.00           C  
HETATM   16  O5  UNL     1      -1.659  -1.475  -1.321  1.00  0.00           O  
HETATM   17  N4  UNL     1      -2.626  -0.867   0.727  1.00  0.00           N  
HETATM   18  H1  UNL     1      -2.203   2.293   0.843  1.00  0.00           H  
HETATM   19  H2  UNL     1      -0.836   1.240   1.487  1.00  0.00           H  
HETATM   20  H3  UNL     1       0.517   1.842  -2.878  1.00  0.00           H  
HETATM   21  H4  UNL     1       2.951   0.733  -2.311  1.00  0.00           H  
HETATM   22  H5  UNL     1       3.955  -0.879  -0.413  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.037  -1.800   1.031  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   17
CONECT    3    4   18   19
CONECT    4    5   15
CONECT    5    6    6
CONECT    6    7   20
CONECT    7    8    8   14
CONECT    8    9   21
CONECT    9   10   10   22
CONECT   10   11   14
CONECT   11   12   12   13
CONECT   15   16   16   17
CONECT   17   23
END
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SMILES for HMDB0014836 (Nitrofurantoin)

[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O
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INCHI for HMDB0014836 (Nitrofurantoin)

InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-
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Synonyms
ValueSource
FuradantineHMDB
FuradonineHMDB
MacrodantinHMDB
Nitrofurantoin, monohydrateHMDB
FuradoineHMDB
Monohydrate nitrofurantoinHMDB
Nitrofurantoin sodium saltHMDB
FurantoinHMDB
FuradantinMeSH
Chemical FormulaC8H6N4O5
Average Molecular Weight238.157
Monoisotopic Molecular Weight238.033819322
IUPAC Name1-[(Z)-[(5-nitrofuran-2-yl)methylidene]amino]imidazolidine-2,4-dione
Traditional Namenitrofurantoin
CAS Registry Number67-20-9
SMILES
[O-][N+](=O)C1=CC=C(O1)\C=N/N1CC(=O)NC1=O
InChI Identifier
InChI=1S/C8H6N4O5/c13-6-4-11(8(14)10-6)9-3-5-1-2-7(17-5)12(15)16/h1-3H,4H2,(H,10,13,14)/b9-3-
InChI KeyNXFQHRVNIOXGAQ-OQFOIZHKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydantoins. These are heterocyclic compounds containing an imidazolidine substituted by ketone group at positions 2 and 4.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzolidines
Sub ClassImidazolidines
Direct ParentHydantoins
Alternative Parents
Substituents
  • Hydantoin
  • Alpha-amino acid or derivatives
  • Nitroaromatic compound
  • 2-nitrofuran
  • Semicarbazone
  • Dicarboximide
  • Furan
  • Heteroaromatic compound
  • Semicarbazide
  • C-nitro compound
  • Carbonic acid derivative
  • Organic nitro compound
  • Allyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Azacycle
  • Oxacycle
  • Propargyl-type 1,3-dipolar organic compound
  • Carboxylic acid derivative
  • Organic oxoazanium
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Organic zwitterion
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point263 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.42 g/LNot Available
LogP-0.1Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00698 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00698 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4510228
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNitrofurantoin
METLIN IDNot Available
PubChem Compound5353830
PDB IDNot Available
ChEBI ID1039679
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Enzymes

Enzyme Details
1. NADPH--cytochrome P450 reductase
General function:
Involved in oxidoreductase activity
Specific function:
This enzyme is required for electron transfer from NADP to cytochrome P450 in microsomes. It can also provide electron transfer to heme oxygenase and cytochrome B5.
Gene Name:
POR
Uniprot ID:
P16435
Molecular weight:
77047.575
References
  1. Wang Y, Gray JP, Mishin V, Heck DE, Laskin DL, Laskin JD: Role of cytochrome P450 reductase in nitrofurantoin-induced redox cycling and cytotoxicity. Free Radic Biol Med. 2008 Mar 15;44(6):1169-79. doi: 10.1016/j.freeradbiomed.2007.12.013. Epub 2007 Dec 23. [PubMed:18206659 ]

Transporters

Enzyme Details
1. ATP-binding cassette sub-family G member 2
General function:
Involved in ATP binding
Specific function:
Xenobiotic transporter that may play an important role in the exclusion of xenobiotics from the brain. May be involved in brain-to-blood efflux. Appears to play a major role in the multidrug resistance phenotype of several cancer cell lines. When overexpressed, the transfected cells become resistant to mitoxantrone, daunorubicin and doxorubicin, display diminished intracellular accumulation of daunorubicin, and manifest an ATP- dependent increase in the efflux of rhodamine 123
Gene Name:
ABCG2
Uniprot ID:
Q9UNQ0
Molecular weight:
72313.5
References
  1. Perez M, Real R, Mendoza G, Merino G, Prieto JG, Alvarez AI: Milk secretion of nitrofurantoin, as a specific BCRP/ABCG2 substrate, in assaf sheep: modulation by isoflavones. J Vet Pharmacol Ther. 2009 Oct;32(5):498-502. doi: 10.1111/j.1365-2885.2008.01050.x. [PubMed:19754918 ]