NP-MRD: Showing NP-Card for Glutathionylcobalamin (NP0086907)

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Record Information

Version

2.0

Created at

2022-05-11 16:34:20 UTC

Updated at

2022-05-11 16:34:20 UTC

NP-MRD ID

NP0086907

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Glutathionylcobalamin

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv0541 02251205232D          

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M  RAD  4  22   2  26   2  31   2  67   2
M  END


  Mrv0541 02251205232D          

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M  CHG  2  46   3  78  -1
M  RAD  4  22   2  26   2  31   2  67   2
M  END
> <DATABASE_ID>
NP0086907

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[N]=12C3=C(C)C4=[N]5C(C(CC(N)=O)(C)C4CCC(N)=O)(C)C4N6C7=C(C8=[N](C(=CC=1C(C3(C)CC(N)=O)CCC(N)=O)C(C)(C)C8CCC(N)=O)[Co+3]256(SCC(NC(CCC(C(=O)O)N)=O)C(=O)NCC(O)=O)[N]1=CN(C2C(C(C(CO)O2)OP([O-])(OC(C)CNC(=O)CCC7(C)C4CC(N)=O)=O)O)C2=CC(=C(C=C12)C)C)C

> <INCHI_IDENTIFIER>
InChI=1S/C62H89N13O14P.C10H17N3O6S.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q-1;;+5/p-2/b54-32-;;

> <INCHI_KEY>
SHTFMKMISIDSLK-IGKGNRFDSA-L

> <FORMULA>
C72H104CoN16O20PS

> <MOLECULAR_WEIGHT>
1635.663

> <EXACT_MASS>
1634.640312244

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
161.5483831108659

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
12

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_POLAR_SURFACE_AREA>
638.0600000000002

> <JCHEM_REFRACTIVITY>
416.7772000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
27

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0       5.280  -4.393   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.864  -2.954   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.919  -1.741   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0       3.396  -1.952   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       2.452  -0.739   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       3.070   0.717   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.928  -0.951   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.016   0.262   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.539   0.051   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.788   1.475   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.606   1.158   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.303   2.778   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.930   3.580   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      -0.938   5.118   0.000  0.00  0.00           N+0
HETATM   15  O   UNK     0       0.405   2.818   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -3.989   0.486   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      -3.777  -1.037   0.000  0.00  0.00           N+0
HETATM   18  C   UNK     0      -2.263  -1.306   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.691  -3.204   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.170  -2.604   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.117  -4.681   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      -3.654  -4.732   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      -4.080  -6.210   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.027  -6.581   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -7.452  -6.003   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -7.342  -4.469   0.000  0.00  0.00           N+0
HETATM   27  C   UNK     0      -8.767  -3.891   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -8.932  -1.915   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -10.431  -1.546   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -8.208  -0.559   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      -6.694  -0.828   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      -5.970   0.528   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -5.028   1.750   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -7.037   1.636   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -7.996   2.944   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -6.388   3.192   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.847   4.639   0.000  0.00  0.00           C+0
HETATM   38  N   UNK     0      -7.177   5.551   0.000  0.00  0.00           N+0
HETATM   39  O   UNK     0      -4.373   5.347   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      -8.420   0.964   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -9.900   1.685   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -11.320   0.919   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0     -12.680   1.684   0.000  0.00  0.00           C+0
HETATM   44  N   UNK     0     -12.730   3.224   0.000  0.00  0.00           N+0
HETATM   45  O   UNK     0     -14.022   0.816   0.000  0.00  0.00           O+0
HETATM   46 Co   UNK     0      -1.014  -3.848   0.000  0.00  0.00          Co+3
HETATM   47  S   UNK     0       0.336  -4.791   0.000  0.00  0.00           S+0
HETATM   48  C   UNK     0       1.932  -5.027   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.455  -6.530   0.000  0.00  0.00           C+0
HETATM   50  N   UNK     0       4.009  -6.789   0.000  0.00  0.00           N+0
HETATM   51  C   UNK     0       4.054  -8.302   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0       3.609  -9.740   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       5.565  -8.727   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       5.625 -10.234   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0       7.109 -10.899   0.000  0.00  0.00           C+0
HETATM   56  N   UNK     0       7.971  -9.662   0.000  0.00  0.00           N+0
HETATM   57  C   UNK     0       8.223 -12.157   0.000  0.00  0.00           C+0
HETATM   58  O   UNK     0       9.771 -12.047   0.000  0.00  0.00           O+0
HETATM   59  O   UNK     0       7.213 -13.329   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0       1.893  -8.043   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0       0.988  -6.756   0.000  0.00  0.00           O+0
HETATM   62  N   UNK     0       1.242  -9.651   0.000  0.00  0.00           N+0
HETATM   63  C   UNK     0       0.663 -11.346   0.000  0.00  0.00           C+0
HETATM   64  C   UNK     0       0.912 -13.023   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0       2.284 -13.703   0.000  0.00  0.00           O+0
HETATM   66  O   UNK     0      -0.315 -14.041   0.000  0.00  0.00           O+0
HETATM   67  N   UNK     0      16.398  -8.171   0.000  0.00  0.00           N+0
HETATM   68  C   UNK     0      14.861  -8.223   0.000  0.00  0.00           C+0
HETATM   69  N   UNK     0      14.338  -6.777   0.000  0.00  0.00           N+0
HETATM   70  C   UNK     0      12.860  -6.351   0.000  0.00  0.00           C+0
HETATM   71  O   UNK     0      11.647  -7.296   0.000  0.00  0.00           O+0
HETATM   72  C   UNK     0      10.373  -6.434   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0       8.819  -6.615   0.000  0.00  0.00           C+0
HETATM   74  O   UNK     0       9.255  -8.085   0.000  0.00  0.00           O+0
HETATM   75  C   UNK     0      10.800  -4.957   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0       9.855  -3.744   0.000  0.00  0.00           O+0
HETATM   77  P   UNK     0       8.332  -3.955   0.000  0.00  0.00           P+0
HETATM   78  O   UNK     0       9.210  -2.901   0.000  0.00  0.00           O-1
HETATM   79  O   UNK     0       8.770  -2.353   0.000  0.00  0.00           O+0
HETATM   80  O   UNK     0       7.387  -2.742   0.000  0.00  0.00           O+0
HETATM   81  C   UNK     0      12.336  -4.905   0.000  0.00  0.00           C+0
HETATM   82  O   UNK     0      13.030  -3.413   0.000  0.00  0.00           O+0
HETATM   83  C   UNK     0      15.551  -5.832   0.000  0.00  0.00           C+0
HETATM   84  C   UNK     0      15.660  -4.299   0.000  0.00  0.00           C+0
HETATM   85  C   UNK     0      17.043  -3.627   0.000  0.00  0.00           C+0
HETATM   86  C   UNK     0      17.178  -2.090   0.000  0.00  0.00           C+0
HETATM   87  C   UNK     0      18.317  -4.488   0.000  0.00  0.00           C+0
HETATM   88  C   UNK     0      19.793  -3.939   0.000  0.00  0.00           C+0
HETATM   89  C   UNK     0      18.207  -6.022   0.000  0.00  0.00           C+0
HETATM   90  C   UNK     0      16.824  -6.694   0.000  0.00  0.00           C+0
HETATM   91  C   UNK     0      -9.757  -5.067   0.000  0.00  0.00           C+0
HETATM   92  C   UNK     0     -10.786  -3.883   0.000  0.00  0.00           C+0
HETATM   93  C   UNK     0     -11.244  -5.845   0.000  0.00  0.00           C+0
HETATM   94  C   UNK     0     -12.737  -5.463   0.000  0.00  0.00           C+0
HETATM   95  N   UNK     0     -13.970  -6.508   0.000  0.00  0.00           N+0
HETATM   96  O   UNK     0     -13.333  -3.954   0.000  0.00  0.00           O+0
HETATM   97  C   UNK     0      -8.944  -6.372   0.000  0.00  0.00           C+0
HETATM   98  C   UNK     0      -9.393  -7.906   0.000  0.00  0.00           C+0
HETATM   99  C   UNK     0      -8.569  -9.290   0.000  0.00  0.00           C+0
HETATM  100  C   UNK     0      -9.123 -10.719   0.000  0.00  0.00           C+0
HETATM  101  N   UNK     0     -10.647 -10.961   0.000  0.00  0.00           N+0
HETATM  102  O   UNK     0      -8.031 -11.887   0.000  0.00  0.00           O+0
HETATM  103  C   UNK     0      -2.806  -7.072   0.000  0.00  0.00           C+0
HETATM  104  C   UNK     0      -2.396  -8.644   0.000  0.00  0.00           C+0
HETATM  105  C   UNK     0      -4.046  -8.176   0.000  0.00  0.00           C+0
HETATM  106  C   UNK     0      -1.593  -6.127   0.000  0.00  0.00           C+0
HETATM  107  C   UNK     0      -0.736  -7.413   0.000  0.00  0.00           C+0
HETATM  108  C   UNK     0      -0.508  -8.923   0.000  0.00  0.00           C+0
HETATM  109  C   UNK     0      -0.039 -10.310   0.000  0.00  0.00           C+0
HETATM  110  N   UNK     0      -1.523 -10.850   0.000  0.00  0.00           N+0
HETATM  111  O   UNK     0       1.663 -10.810   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   80                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   18                                             
CONECT   10    9                                                            
CONECT   11    9   12   16                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16   11   17   32                                                  
CONECT   17   16   18   46                                                  
CONECT   18   17    9   19                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22  106                                                  
CONECT   22   21   23   46                                                  
CONECT   23   22   24  103                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   97                                                  
CONECT   26   25   27   46                                                  
CONECT   27   26   28   91                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   40                                                  
CONECT   31   30   32   46                                                  
CONECT   32   31   16   33   34                                             
CONECT   33   32                                                            
CONECT   34   32   35   36   40                                             
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37                                                            
CONECT   40   34   30   41                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43                                                            
CONECT   46   31   17   22   26                                             
CONECT   46   47   67                                   
CONECT   47   46   48                                                       
CONECT   48   47   49                                                       
CONECT   49   48   50   60                                                  
CONECT   50   49   51                                                       
CONECT   51   50   52   53                                                  
CONECT   52   51                                                            
CONECT   53   51   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54   56   57                                                  
CONECT   56   55                                                            
CONECT   57   55   58   59                                                  
CONECT   58   57                                                            
CONECT   59   57                                                            
CONECT   60   49   61   62                                                  
CONECT   61   60                                                            
CONECT   62   60   63                                                       
CONECT   63   62   64                                                       
CONECT   64   63   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64                                                            
CONECT   67   46   68   90                                                  
CONECT   68   67   69                                                       
CONECT   69   68   70   83                                                  
CONECT   70   69   71   81                                                  
CONECT   71   70   72                                                       
CONECT   72   71   73   75                                                  
CONECT   73   72   74                                                       
CONECT   74   73                                                            
CONECT   75   72   76   81                                                  
CONECT   76   75   77                                                       
CONECT   77   76   78   79   80                                             
CONECT   78   77                                                            
CONECT   79   77                                                            
CONECT   80   77    2                                                       
CONECT   81   75   70   82                                                  
CONECT   82   81                                                            
CONECT   83   69   84   90                                                  
CONECT   84   83   85                                                       
CONECT   85   84   86   87                                                  
CONECT   86   85                                                            
CONECT   87   85   88   89                                                  
CONECT   88   87                                                            
CONECT   89   87   90                                                       
CONECT   90   89   67   83                                                  
CONECT   91   27   92   93   97                                             
CONECT   92   91                                                            
CONECT   93   91   94                                                       
CONECT   94   93   95   96                                                  
CONECT   95   94                                                            
CONECT   96   94                                                            
CONECT   97   91   25   98                                                  
CONECT   98   97   99                                                       
CONECT   99   98  100                                                       
CONECT  100   99  101  102                                                  
CONECT  101  100                                                            
CONECT  102  100                                                            
CONECT  103   23  104  105  106                                             
CONECT  104  103                                                            
CONECT  105  103                                                            
CONECT  106  103   21  107                                                  
CONECT  107  106  108                                                       
CONECT  108  107  109                                                       
CONECT  109  108  110  111                                                  
CONECT  110  109                                                            
CONECT  111  109                                                            
MASTER        0    0    0    0    0    0    0    0  111    0  244    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₇₂H₁₀₄CoN₁₆O₂₀PS

Average Mass

1635.6630 Da

Monoisotopic Mass

1634.64031 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[N]=12C3=C(C)C4=[N]5C(C(CC(N)=O)(C)C4CCC(N)=O)(C)C4N6C7=C(C8=[N](C(=CC=1C(C3(C)CC(N)=O)CCC(N)=O)C(C)(C)C8CCC(N)=O)[Co+3]256(SCC(NC(CCC(C(=O)O)N)=O)C(=O)NCC(O)=O)[N]1=CN(C2C(C(C(CO)O2)OP([O-])(OC(C)CNC(=O)CCC7(C)C4CC(N)=O)=O)O)C2=CC(=C(C=C12)C)C)C

InChI Identifier

InChI=1S/C62H89N13O14P.C10H17N3O6S.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86);5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19);/q-1;;+5/p-2/b54-32-;;

InChI Key

SHTFMKMISIDSLK-IGKGNRFDSA-L

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cobalamin derivatives. These are organic compounds containing a corrin ring, a cobalt atom, an a nucleotide moiety. Cobalamin Derivatives are actually derived from vitamin B12.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Tetrapyrroles and derivatives

Sub Class

Corrinoids

Direct Parent

Cobalamin derivatives

Alternative Parents

Substituents

Cobalamin
Alpha-oligopeptide
Gamma-glutamyl alpha peptide
Metallotetrapyrrole skeleton
Alpha peptide
Pentose phosphate
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Cysteine or derivatives
Alpha-amino acid
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Benzimidazole
Dicarboxylic acid or derivatives
Fatty amide
Monosaccharide
N-acyl-amine
Organic phosphoric acid derivative
Fatty acyl
Benzenoid
Pyrroline
Pyrrolidine
Tetrahydrofuran
Primary carboxylic acid amide
Secondary carboxylic acid amide
Secondary alcohol
Amino acid or derivatives
Amino acid
Carboxamide group
Lactam
Amidine
Sulfenyl compound
Carboxylic acid amidine
Carboxylic acid derivative
Carboxylic acid
Oxacycle
Metalloheterocycle
Azacycle
Organic metal salt
Organic transition metal salt
Organic oxide
Organic salt
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Organosulfur compound
Organic cobalt salt
Amine
Primary amine
Carbonyl group
Organooxygen compound
Organonitrogen compound
Primary alcohol
Primary aliphatic amine
Organic oxygen compound
Organopnictogen compound
Organic cation
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	638.06 Å²	ChemAxon
Rotatable Bond Count	27	ChemAxon
Refractivity	416.78 m³·mol⁻¹	ChemAxon
Polarizability	161.55 Å³	ChemAxon
Number of Rings	12	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB022903

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Glutathionylcobalamin (NP0086907)

MOL for NP0086907 (Glutathionylcobalamin)

3D MOL for NP0086907 (Glutathionylcobalamin)

3D SDF for NP0086907 (Glutathionylcobalamin)

3D-SDF for NP0086907 (Glutathionylcobalamin)

PDB for NP0086907 (Glutathionylcobalamin)

3D PDB for NP0086907 (Glutathionylcobalamin)

SMILES for NP0086907 (Glutathionylcobalamin)

INCHI for NP0086907 (Glutathionylcobalamin)

Structure for NP0086907 (Glutathionylcobalamin)

3D Structure for NP0086907 (Glutathionylcobalamin)