Hmdb loader

Showing metabocard for Nystatin (HMDB0014784)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:44 UTC
HMDB IDHMDB0014784
Secondary Accession Numbers
  • HMDB14784
Metabolite Identification
Common NameNystatin
DescriptionNystatin is a polyene antifungal drug to which many molds and yeasts are sensitive, including Candida spp. Nystatin has some toxicity associated with it when given intravenously, but it is not absorbed across intact skin or mucous membranes. It is considered a relatively safe drug for treating oral or gastrointestinal fungal infections.
Structure
Data?1582753220
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014784 (Nystatin)

646
  Mrv0541 02231214512D          

 65 66  0  0  1  0            999 V2000
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M  END
Download

3D MOL for HMDB0014784 (Nystatin)

HMDB0014784
     RDKit          3D
Nystatin
140141  0  0  0  0  0  0  0  0999 V2000
   -4.4210    3.1099   -2.1750 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5907    2.8081    1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7332    3.5418    1.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.2233    3.8349   -1.3715 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0505    2.3202   -2.6743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5398    4.0147   -2.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7782    5.5505   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5203    3.1500    1.6509 H   0  0  0  0  0  0  0  0  0  0  0  0
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   11.3129    2.4134    0.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
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 65140  1  0
M  END
Download

3D SDF for HMDB0014784 (Nystatin)

646
  Mrv0541 02231214512D          

 65 66  0  0  1  0            999 V2000
    4.9509    3.3001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    5.3626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3832    1.1878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2379   -4.1251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7925   -0.9356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -2.8876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6175    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6655    4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6655   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8089   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2379   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9509   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944   -4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -2.8876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -4.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668   -4.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234   -5.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524   -4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2365   -4.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -4.1251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0930   -3.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
 20  3  1  1  0  0  0
 21  4  1  6  0  0  0
  5 26  1  0  0  0  0
  6 29  1  0  0  0  0
  7 44  1  0  0  0  0
  7 53  1  0  0  0  0
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  9 33  1  0  0  0  0
 10 36  1  0  0  0  0
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 15 41  2  0  0  0  0
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 17 53  2  0  0  0  0
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 54 56  2  0  0  0  0
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 56 58  1  0  0  0  0
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 58 60  2  0  0  0  0
 59 62  2  0  0  0  0
 60 61  1  0  0  0  0
 61 63  1  0  0  0  0
 62 64  1  0  0  0  0
 63 65  1  0  0  0  0
 64 65  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014784

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1

> <INCHI_KEY>
ZDFDJJJGIRGMBE-AFARJNEBSA-N

> <FORMULA>
C47H75NO17

> <MOLECULAR_WEIGHT>
926.0949

> <EXACT_MASS>
925.503499979

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_AVERAGE_POLARIZABILITY>
102.10814694575765

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(21E,23E,25E,27E,31E,33E)-20-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-1-oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid

> <ALOGPS_LOGP>
-2.82

> <JCHEM_LOGP>
-2.666154540022299

> <ALOGPS_LOGS>
-4.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.651951568418127

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6208467022216593

> <JCHEM_PKA_STRONGEST_BASIC>
9.11381640698386

> <JCHEM_POLAR_SURFACE_AREA>
327.44999999999993

> <JCHEM_REFRACTIVITY>
245.17500000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
6.60e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
nystatin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0014784 (Nystatin)

HMDB0014784
     RDKit          3D
Nystatin
140141  0  0  0  0  0  0  0  0999 V2000
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M  END
Download

PDB for HMDB0014784 (Nystatin)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 646                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       9.242   6.160   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       7.908   3.850   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       5.241   5.390   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       7.908  10.010   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      13.243   3.850   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      10.049   2.217   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      17.244  -7.700   0.000  0.00  0.00           O+0
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HETATM    9  O   UNK     0      10.576  -5.390   0.000  0.00  0.00           O+0
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HETATM   20  C   UNK     0       6.574   6.160   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.908   8.470   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.908   5.390   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       9.242   7.700   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.242   3.080   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.576   3.850   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.909   3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.909   1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      10.576   8.470   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      10.576   0.770   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      10.576  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       9.242   1.540   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      11.909  -3.080   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      10.576  -3.850   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.243  -3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.577  -3.080   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      15.910  -3.850   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.242  -3.080   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      14.577  -7.700   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      17.244  -3.080   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      13.449   1.540   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.242  -1.540   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      18.578  -3.850   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.243  -8.470   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      15.910  -8.470   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      18.578  -5.390   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      11.909  -7.700   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      19.911  -6.160   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      14.577  -6.160   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       7.908   0.770   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      19.911  -7.700   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      15.910 -10.010   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      11.909  -6.160   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0      18.578  -8.470   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      10.576  -8.470   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.908  -0.770   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       9.242  -7.700   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0       6.574  -1.540   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0       7.908  -8.470   0.000  0.00  0.00           C+0
HETATM   59  C   UNK     0       6.574  -3.080   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0       6.574  -7.700   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0       5.241  -8.470   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0       5.241  -3.850   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0       3.907  -7.700   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       5.241  -5.390   0.000  0.00  0.00           C+0
HETATM   65  C   UNK     0       3.907  -6.160   0.000  0.00  0.00           C+0
CONECT    1   22   23                                                       
CONECT    2   22   24                                                       
CONECT    3   20                                                            
CONECT    4   21                                                            
CONECT    5   26                                                            
CONECT    6   29                                                            
CONECT    7   44   53                                                       
CONECT    8   32                                                            
CONECT    9   33                                                            
CONECT   10   36                                                            
CONECT   11   40                                                            
CONECT   12   42                                                            
CONECT   13   43                                                            
CONECT   14   40                                                            
CONECT   15   41                                                            
CONECT   16   47                                                            
CONECT   17   53                                                            
CONECT   18   19                                                            
CONECT   19   18   20   21                                                  
CONECT   20    3   19   22                                                  
CONECT   21    4   19   23                                                  
CONECT   22    1    2   20                                                  
CONECT   23    1   21   28                                                  
CONECT   24    2   25   31                                                  
CONECT   25   24   26                                                       
CONECT   26    5   25   27                                                  
CONECT   27   26   29   40                                                  
CONECT   28   23                                                            
CONECT   29    6   27   30                                                  
CONECT   30   29   41                                                       
CONECT   31   24   49                                                       
CONECT   32    8   33   34                                                  
CONECT   33    9   32   37                                                  
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   10   35   39                                                  
CONECT   37   33   41                                                       
CONECT   38   43   44   48                                                  
CONECT   39   36   42                                                       
CONECT   40   11   14   27                                                  
CONECT   41   15   30   37                                                  
CONECT   42   12   39   45                                                  
CONECT   43   13   38   46                                                  
CONECT   44    7   38   51                                                  
CONECT   45   42   47                                                       
CONECT   46   43   52   54                                                  
CONECT   47   16   45   50                                                  
CONECT   48   38                                                            
CONECT   49   31   55                                                       
CONECT   50   47   53                                                       
CONECT   51   44                                                            
CONECT   52   46                                                            
CONECT   53    7   17   50                                                  
CONECT   54   46   56                                                       
CONECT   55   49   57                                                       
CONECT   56   54   58                                                       
CONECT   57   55   59                                                       
CONECT   58   56   60                                                       
CONECT   59   57   62                                                       
CONECT   60   58   61                                                       
CONECT   61   60   63                                                       
CONECT   62   59   64                                                       
CONECT   63   61   65                                                       
CONECT   64   62   65                                                       
CONECT   65   63   64                                                       
MASTER        0    0    0    0    0    0    0    0   65    0  132    0
END
Download

3D PDB for HMDB0014784 (Nystatin)

COMPND    HMDB0014784
HETATM    1  C1  UNL     1      -4.421   3.110  -2.175  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.946   3.285  -0.784  1.00  0.00           C  
HETATM    3  C3  UNL     1      -4.285   2.395   0.204  1.00  0.00           C  
HETATM    4  C4  UNL     1      -3.591   2.808   1.254  1.00  0.00           C  
HETATM    5  C5  UNL     1      -3.355   4.199   1.620  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.678   5.073   0.892  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.044   4.784  -0.417  1.00  0.00           C  
HETATM    8  C8  UNL     1      -0.614   5.279  -0.445  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.185   4.754   0.679  1.00  0.00           C  
HETATM   10  C10 UNL     1       0.880   3.644   0.718  1.00  0.00           C  
HETATM   11  C11 UNL     1       1.038   2.655  -0.337  1.00  0.00           C  
HETATM   12  C12 UNL     1       1.707   2.796  -1.469  1.00  0.00           C  
HETATM   13  C13 UNL     1       2.431   3.965  -1.906  1.00  0.00           C  
HETATM   14  C14 UNL     1       3.308   4.662  -1.177  1.00  0.00           C  
HETATM   15  C15 UNL     1       3.686   4.354   0.196  1.00  0.00           C  
HETATM   16  C16 UNL     1       4.301   3.255   0.597  1.00  0.00           C  
HETATM   17  C17 UNL     1       4.723   2.131  -0.281  1.00  0.00           C  
HETATM   18  O1  UNL     1       6.087   1.926  -0.098  1.00  0.00           O  
HETATM   19  C18 UNL     1       6.835   2.106  -1.257  1.00  0.00           C  
HETATM   20  O2  UNL     1       7.613   0.999  -1.465  1.00  0.00           O  
HETATM   21  C19 UNL     1       8.969   1.190  -1.380  1.00  0.00           C  
HETATM   22  C20 UNL     1       9.612  -0.201  -1.310  1.00  0.00           C  
HETATM   23  C21 UNL     1       9.442   1.942  -0.177  1.00  0.00           C  
HETATM   24  O3  UNL     1      10.724   2.452  -0.473  1.00  0.00           O  
HETATM   25  C22 UNL     1       8.587   3.133   0.176  1.00  0.00           C  
HETATM   26  N1  UNL     1       7.793   2.895   1.379  1.00  0.00           N  
HETATM   27  C23 UNL     1       7.675   3.361  -1.031  1.00  0.00           C  
HETATM   28  O4  UNL     1       6.826   4.412  -0.791  1.00  0.00           O  
HETATM   29  C24 UNL     1       3.993   0.858   0.020  1.00  0.00           C  
HETATM   30  C25 UNL     1       4.985  -0.224   0.348  1.00  0.00           C  
HETATM   31  O5  UNL     1       5.312  -0.925  -0.817  1.00  0.00           O  
HETATM   32  C26 UNL     1       4.468  -1.163   1.416  1.00  0.00           C  
HETATM   33  C27 UNL     1       5.497  -2.195   1.684  1.00  0.00           C  
HETATM   34  O6  UNL     1       6.578  -2.150   1.042  1.00  0.00           O  
HETATM   35  O7  UNL     1       5.274  -3.205   2.638  1.00  0.00           O  
HETATM   36  C28 UNL     1       3.226  -1.905   0.960  1.00  0.00           C  
HETATM   37  O8  UNL     1       2.245  -1.064   0.456  1.00  0.00           O  
HETATM   38  C29 UNL     1       3.524  -2.951  -0.065  1.00  0.00           C  
HETATM   39  C30 UNL     1       2.895  -4.277   0.261  1.00  0.00           C  
HETATM   40  O9  UNL     1       3.525  -5.194   0.762  1.00  0.00           O  
HETATM   41  C31 UNL     1       1.469  -4.491  -0.029  1.00  0.00           C  
HETATM   42  C32 UNL     1       1.204  -5.888  -0.568  1.00  0.00           C  
HETATM   43  O10 UNL     1       2.390  -6.644  -0.547  1.00  0.00           O  
HETATM   44  C33 UNL     1       0.124  -6.596   0.229  1.00  0.00           C  
HETATM   45  O11 UNL     1       0.350  -7.958   0.225  1.00  0.00           O  
HETATM   46  C34 UNL     1      -1.244  -6.287  -0.345  1.00  0.00           C  
HETATM   47  C35 UNL     1      -2.330  -6.505   0.674  1.00  0.00           C  
HETATM   48  C36 UNL     1      -3.340  -5.379   0.706  1.00  0.00           C  
HETATM   49  O12 UNL     1      -2.798  -4.189   0.262  1.00  0.00           O  
HETATM   50  C37 UNL     1      -4.546  -5.678  -0.172  1.00  0.00           C  
HETATM   51  C38 UNL     1      -5.771  -5.059   0.468  1.00  0.00           C  
HETATM   52  O13 UNL     1      -5.600  -4.909   1.837  1.00  0.00           O  
HETATM   53  C39 UNL     1      -6.002  -3.694  -0.131  1.00  0.00           C  
HETATM   54  C40 UNL     1      -7.440  -3.263   0.063  1.00  0.00           C  
HETATM   55  O14 UNL     1      -8.167  -3.482  -1.103  1.00  0.00           O  
HETATM   56  C41 UNL     1      -7.534  -1.797   0.475  1.00  0.00           C  
HETATM   57  C42 UNL     1      -7.502  -0.918  -0.721  1.00  0.00           C  
HETATM   58  O15 UNL     1      -7.727  -1.429  -1.843  1.00  0.00           O  
HETATM   59  O16 UNL     1      -7.230   0.416  -0.555  1.00  0.00           O  
HETATM   60  C43 UNL     1      -7.783   1.226   0.465  1.00  0.00           C  
HETATM   61  C44 UNL     1      -9.192   1.622   0.163  1.00  0.00           C  
HETATM   62  C45 UNL     1      -6.900   2.475   0.583  1.00  0.00           C  
HETATM   63  C46 UNL     1      -7.733   3.542   1.265  1.00  0.00           C  
HETATM   64  C47 UNL     1      -6.426   2.866  -0.777  1.00  0.00           C  
HETATM   65  O17 UNL     1      -7.223   3.835  -1.372  1.00  0.00           O  
HETATM   66  H1  UNL     1      -5.050   2.320  -2.674  1.00  0.00           H  
HETATM   67  H2  UNL     1      -4.540   4.015  -2.801  1.00  0.00           H  
HETATM   68  H3  UNL     1      -3.371   2.722  -2.216  1.00  0.00           H  
HETATM   69  H4  UNL     1      -4.874   4.365  -0.513  1.00  0.00           H  
HETATM   70  H5  UNL     1      -4.406   1.323   0.005  1.00  0.00           H  
HETATM   71  H6  UNL     1      -3.159   2.029   1.923  1.00  0.00           H  
HETATM   72  H7  UNL     1      -3.784   4.510   2.602  1.00  0.00           H  
HETATM   73  H8  UNL     1      -2.576   6.081   1.274  1.00  0.00           H  
HETATM   74  H9  UNL     1      -2.019   3.672  -0.493  1.00  0.00           H  
HETATM   75  H10 UNL     1      -2.574   5.261  -1.263  1.00  0.00           H  
HETATM   76  H11 UNL     1      -0.166   4.981  -1.406  1.00  0.00           H  
HETATM   77  H12 UNL     1      -0.647   6.394  -0.454  1.00  0.00           H  
HETATM   78  H13 UNL     1       0.177   5.403   1.574  1.00  0.00           H  
HETATM   79  H14 UNL     1       1.410   3.386   1.673  1.00  0.00           H  
HETATM   80  H15 UNL     1       0.549   1.665  -0.154  1.00  0.00           H  
HETATM   81  H16 UNL     1       1.726   1.941  -2.183  1.00  0.00           H  
HETATM   82  H17 UNL     1       2.221   4.287  -2.947  1.00  0.00           H  
HETATM   83  H18 UNL     1       3.778   5.550  -1.653  1.00  0.00           H  
HETATM   84  H19 UNL     1       3.425   5.146   0.938  1.00  0.00           H  
HETATM   85  H20 UNL     1       4.520   3.150   1.651  1.00  0.00           H  
HETATM   86  H21 UNL     1       4.565   2.373  -1.355  1.00  0.00           H  
HETATM   87  H22 UNL     1       6.174   2.358  -2.108  1.00  0.00           H  
HETATM   88  H23 UNL     1       9.351   1.664  -2.305  1.00  0.00           H  
HETATM   89  H24 UNL     1       9.492  -0.654  -2.312  1.00  0.00           H  
HETATM   90  H25 UNL     1      10.689  -0.031  -1.091  1.00  0.00           H  
HETATM   91  H26 UNL     1       9.128  -0.818  -0.514  1.00  0.00           H  
HETATM   92  H27 UNL     1       9.550   1.320   0.731  1.00  0.00           H  
HETATM   93  H28 UNL     1      11.313   2.413   0.323  1.00  0.00           H  
HETATM   94  H29 UNL     1       9.174   4.055   0.359  1.00  0.00           H  
HETATM   95  H30 UNL     1       8.158   3.392   2.204  1.00  0.00           H  
HETATM   96  H31 UNL     1       7.739   1.866   1.559  1.00  0.00           H  
HETATM   97  H32 UNL     1       8.334   3.500  -1.907  1.00  0.00           H  
HETATM   98  H33 UNL     1       7.305   5.152  -0.385  1.00  0.00           H  
HETATM   99  H34 UNL     1       3.392   0.496  -0.845  1.00  0.00           H  
HETATM  100  H35 UNL     1       3.338   1.000   0.920  1.00  0.00           H  
HETATM  101  H36 UNL     1       5.921   0.216   0.736  1.00  0.00           H  
HETATM  102  H37 UNL     1       5.150  -0.361  -1.631  1.00  0.00           H  
HETATM  103  H38 UNL     1       4.268  -0.612   2.334  1.00  0.00           H  
HETATM  104  H39 UNL     1       5.744  -4.091   2.459  1.00  0.00           H  
HETATM  105  H40 UNL     1       2.786  -2.402   1.854  1.00  0.00           H  
HETATM  106  H41 UNL     1       1.933  -1.359  -0.443  1.00  0.00           H  
HETATM  107  H42 UNL     1       3.119  -2.688  -1.085  1.00  0.00           H  
HETATM  108  H43 UNL     1       4.595  -3.133  -0.217  1.00  0.00           H  
HETATM  109  H44 UNL     1       0.893  -4.355   0.896  1.00  0.00           H  
HETATM  110  H45 UNL     1       1.145  -3.759  -0.811  1.00  0.00           H  
HETATM  111  H46 UNL     1       0.846  -5.847  -1.627  1.00  0.00           H  
HETATM  112  H47 UNL     1       2.215  -7.534  -0.114  1.00  0.00           H  
HETATM  113  H48 UNL     1       0.182  -6.221   1.267  1.00  0.00           H  
HETATM  114  H49 UNL     1      -0.061  -8.434   0.992  1.00  0.00           H  
HETATM  115  H50 UNL     1      -1.412  -7.005  -1.193  1.00  0.00           H  
HETATM  116  H51 UNL     1      -1.251  -5.256  -0.748  1.00  0.00           H  
HETATM  117  H52 UNL     1      -1.863  -6.556   1.677  1.00  0.00           H  
HETATM  118  H53 UNL     1      -2.858  -7.480   0.526  1.00  0.00           H  
HETATM  119  H54 UNL     1      -3.699  -5.204   1.744  1.00  0.00           H  
HETATM  120  H55 UNL     1      -2.995  -4.073  -0.689  1.00  0.00           H  
HETATM  121  H56 UNL     1      -4.402  -5.239  -1.173  1.00  0.00           H  
HETATM  122  H57 UNL     1      -4.676  -6.771  -0.294  1.00  0.00           H  
HETATM  123  H58 UNL     1      -6.642  -5.723   0.283  1.00  0.00           H  
HETATM  124  H59 UNL     1      -5.380  -3.962   2.067  1.00  0.00           H  
HETATM  125  H60 UNL     1      -5.361  -2.969   0.375  1.00  0.00           H  
HETATM  126  H61 UNL     1      -5.805  -3.717  -1.221  1.00  0.00           H  
HETATM  127  H62 UNL     1      -7.872  -3.845   0.878  1.00  0.00           H  
HETATM  128  H63 UNL     1      -8.112  -4.454  -1.285  1.00  0.00           H  
HETATM  129  H64 UNL     1      -8.450  -1.606   1.053  1.00  0.00           H  
HETATM  130  H65 UNL     1      -6.661  -1.519   1.118  1.00  0.00           H  
HETATM  131  H66 UNL     1      -7.728   0.738   1.457  1.00  0.00           H  
HETATM  132  H67 UNL     1      -9.861   1.310   1.003  1.00  0.00           H  
HETATM  133  H68 UNL     1      -9.562   1.058  -0.740  1.00  0.00           H  
HETATM  134  H69 UNL     1      -9.321   2.707   0.036  1.00  0.00           H  
HETATM  135  H70 UNL     1      -6.029   2.223   1.211  1.00  0.00           H  
HETATM  136  H71 UNL     1      -8.544   3.102   1.882  1.00  0.00           H  
HETATM  137  H72 UNL     1      -8.137   4.283   0.571  1.00  0.00           H  
HETATM  138  H73 UNL     1      -7.078   4.091   1.979  1.00  0.00           H  
HETATM  139  H74 UNL     1      -6.456   1.947  -1.425  1.00  0.00           H  
HETATM  140  H75 UNL     1      -7.985   3.435  -1.873  1.00  0.00           H  
CONECT    1    2   66   67   68
CONECT    2    3   64   69
CONECT    3    4    4   70
CONECT    4    5   71
CONECT    5    6    6   72
CONECT    6    7   73
CONECT    7    8   74   75
CONECT    8    9   76   77
CONECT    9   10   10   78
CONECT   10   11   79
CONECT   11   12   12   80
CONECT   12   13   81
CONECT   13   14   14   82
CONECT   14   15   83
CONECT   15   16   16   84
CONECT   16   17   85
CONECT   17   18   29   86
CONECT   18   19
CONECT   19   20   27   87
CONECT   20   21
CONECT   21   22   23   88
CONECT   22   89   90   91
CONECT   23   24   25   92
CONECT   24   93
CONECT   25   26   27   94
CONECT   26   95   96
CONECT   27   28   97
CONECT   28   98
CONECT   29   30   99  100
CONECT   30   31   32  101
CONECT   31  102
CONECT   32   33   36  103
CONECT   33   34   34   35
CONECT   35  104
CONECT   36   37   38  105
CONECT   37  106
CONECT   38   39  107  108
CONECT   39   40   40   41
CONECT   41   42  109  110
CONECT   42   43   44  111
CONECT   43  112
CONECT   44   45   46  113
CONECT   45  114
CONECT   46   47  115  116
CONECT   47   48  117  118
CONECT   48   49   50  119
CONECT   49  120
CONECT   50   51  121  122
CONECT   51   52   53  123
CONECT   52  124
CONECT   53   54  125  126
CONECT   54   55   56  127
CONECT   55  128
CONECT   56   57  129  130
CONECT   57   58   58   59
CONECT   59   60
CONECT   60   61   62  131
CONECT   61  132  133  134
CONECT   62   63   64  135
CONECT   63  136  137  138
CONECT   64   65  139
CONECT   65  140
END
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SMILES for HMDB0014784 (Nystatin)

C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O
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INCHI for HMDB0014784 (Nystatin)

InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
MycostatinChEBI
ABBR nytKegg
NYSHMDB
Chemical FormulaC47H75NO17
Average Molecular Weight926.0949
Monoisotopic Molecular Weight925.503499979
IUPAC Name(21E,23E,25E,27E,31E,33E)-20-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-1-oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid
Traditional Namenystatin
CAS Registry Number1400-61-9
SMILES
C[C@H]1OC(OC2CC(O)C(C(O)CC(=O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)\C=C\C=C\CC\C=C\C=C\C=C\C=C\2)C(O)=O)[C@@H](O)[C@@H](N)[C@@H]1O
InChI Identifier
InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-35(65-47-45(60)42(48)44(59)30(4)64-47)26-39(56)41(46(61)62)38(55)24-34(52)23-37(54)36(53)20-19-31(49)21-32(50)22-33(51)25-40(57)63-29(3)28(2)43(27)58/h5-6,8,10-18,27-33,35-39,41-45,47,49-51,53-56,58-60H,7,9,19-26,48H2,1-4H3,(H,61,62)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27?,28?,29?,30-,31?,32?,33?,35?,36?,37?,38?,39?,41?,42+,43?,44-,45+,47?/m1/s1
InChI KeyZDFDJJJGIRGMBE-AFARJNEBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentAminoglycosides
Alternative Parents
Substituents
  • Aminoglycoside core
  • Macrolide
  • Hexose monosaccharide
  • Glycosyl compound
  • O-glycosyl compound
  • Beta-hydroxy acid
  • Dicarboxylic acid or derivatives
  • Hydroxy acid
  • Monosaccharide
  • Oxane
  • 1,2-aminoalcohol
  • Amino acid or derivatives
  • Amino acid
  • Ketone
  • Lactone
  • Carboxylic acid ester
  • Secondary alcohol
  • Cyclic ketone
  • Carboxylic acid
  • Organoheterocyclic compound
  • Acetal
  • Carboxylic acid derivative
  • Oxacycle
  • Polyol
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Organonitrogen compound
  • Carbonyl group
  • Primary amine
  • Hydrocarbon derivative
  • Organic oxide
  • Amine
  • Alcohol
  • Organopnictogen compound
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point160 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.066 g/LNot Available
LogP0.5Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.066 g/LALOGPS
logP-2.8ALOGPS
logP-2.7ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)3.62ChemAxon
pKa (Strongest Basic)9.11ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count17ChemAxon
Hydrogen Donor Count12ChemAxon
Polar Surface Area327.45 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity245.18 m³·mol⁻¹ChemAxon
Polarizability102.11 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+284.72430932474
DeepCCS[M-H]-282.82830932474
DeepCCS[M-2H]-316.70930932474
DeepCCS[M+Na]+290.81730932474
AllCCS[M+H]+293.832859911
AllCCS[M+H-H2O]+293.332859911
AllCCS[M+NH4]+294.232859911
AllCCS[M+Na]+294.432859911
AllCCS[M-H]-303.732859911
AllCCS[M+Na-2H]-311.432859911
AllCCS[M+HCOO]-319.832859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.0.76 minutes32390414
Predicted by Siyang on May 30, 202216.1483 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20224.44 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid440.1 seconds40023050
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid2674.3 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid168.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid150.8 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid192.7 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid144.8 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid559.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid471.0 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)945.4 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1252.3 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid600.5 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1117.9 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid378.5 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid398.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate528.9 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA408.8 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water9.0 seconds40023050

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 10V, Positive-QTOFsplash10-052f-0000000696-2dbe48a763da2c51ff0a2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 20V, Positive-QTOFsplash10-03di-0010000922-aa0997aef4cbe4d08c7d2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 40V, Positive-QTOFsplash10-03di-1002103911-eae0bbc46987f1df1bcf2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 10V, Negative-QTOFsplash10-08g0-2000000496-774431ed75efe06401c12017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 20V, Negative-QTOFsplash10-08ir-0000000490-8f81c2a4e4a2977923e32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 40V, Negative-QTOFsplash10-03fr-1000000900-94ba1a7b1c2cf5359def2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 10V, Positive-QTOFsplash10-0006-0000000194-6584fa23191ef1eaa3f32021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 20V, Positive-QTOFsplash10-03dl-0000000982-1b5d484ccafa90a25e292021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 40V, Positive-QTOFsplash10-02am-4400000920-7b0aea1f0a3c0e89708b2021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 10V, Negative-QTOFsplash10-06ri-0100000394-8c2bb8595a6fb2f0ebb72021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 20V, Negative-QTOFsplash10-03dr-0000000391-ff1fd019d35110180fb52021-10-11Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Nystatin 40V, Negative-QTOFsplash10-03di-0000000900-22e952330af107c3dc4b2021-10-11Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00646 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00646 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 IDDB00646
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10128183
KEGG Compound IDC06572
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNystatin
METLIN IDNot Available
PubChem Compound11953884
PDB IDNot Available
ChEBI ID7660
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 References
  1. Akaike N, Harata N: Nystatin perforated patch recording and its applications to analyses of intracellular mechanisms. Jpn J Physiol. 1994;44(5):433-73. [PubMed:7534361 ]