NP-MRD: Showing NP-Card for Ferricytochrome (NP0339396)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2024-09-11 21:37:39 UTC

Updated at

2024-09-11 21:37:40 UTC

NP-MRD ID

NP0339396

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ferricytochrome

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05272300092D          

 42 49  0  0  0  0            999 V2000
   11.3160   -8.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8657   -9.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   -9.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4173   -8.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2249   -8.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7746   -8.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5822   -8.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -7.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811   -9.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956  -10.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956  -11.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811  -11.6413    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   13.0811  -12.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -12.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521  -12.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0110  -12.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4329  -13.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6911  -13.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798  -13.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7935  -14.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166  -12.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881  -13.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166  -12.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927  -12.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9302  -12.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2965  -11.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4867  -11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377  -11.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521  -11.6413    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   12.3667  -11.2288    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   12.3667  -10.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   -9.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377  -10.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521  -11.6413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8780  -12.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1359  -13.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3789  -11.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1865  -11.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4445  -10.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2521  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8018  -11.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5100   -9.9080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
M  CHG  1  30   3
M  END


  Mrv2104 05272300092D          

 42 49  0  0  0  0            999 V2000
   11.3160   -8.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8657   -9.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8675   -9.1945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4173   -8.5793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2249   -8.7477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7746   -8.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5822   -8.3010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5167   -7.3489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811   -9.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956  -10.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7956  -11.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0811  -11.6413    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   13.0811  -12.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3667  -12.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521  -12.4663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0110  -12.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4329  -13.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6911  -13.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9798  -13.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7935  -14.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166  -12.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4881  -13.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166  -12.3951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4927  -12.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9302  -12.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2965  -11.7480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4867  -11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377  -11.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521  -11.6413    0.0000 N   0  0  0  0  0  4  0  0  0  0  0  0
   12.3667  -11.2288    0.0000 Fe  0  1  0  0  0  0  0  0  0  0  0  0
   12.3667  -10.4038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521   -9.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377  -10.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6521  -11.6413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8780  -12.6799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1359  -13.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3789  -11.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1865  -11.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4445  -10.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2521  -10.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8018  -11.3069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5100   -9.9080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  9 10  2  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  2  0  0  0  0
 21 22  1  0  0  0  0
 21 34  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 29  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
M  CHG  1  30   3
M  END
> <DATABASE_ID>
NP0339396

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C)C8=[N]7[Fe+3]4(N2C1=C8)N56)C(C)=C3CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/q;+5/p-2/b24-12-,25-14?,26-13-,27-12-,28-13-,29-14?,30-15-,31-15-;

> <INCHI_KEY>
DIJBTMZFNNUACZ-NHCNHRESNA-L

> <FORMULA>
C33H32FeN4O4

> <MOLECULAR_WEIGHT>
604.486

> <EXACT_MASS>
604.175646

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0      21.123 -16.015   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      22.149 -17.163   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      24.019 -17.163   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      25.046 -16.015   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.553 -16.329   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      27.579 -15.181   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      29.087 -15.495   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      27.098 -13.718   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      24.418 -18.650   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      25.752 -19.420   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      25.752 -20.960   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      24.418 -21.730   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      24.418 -23.270   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      23.085 -24.040   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      21.751 -23.270   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.554 -24.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.475 -25.338   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      21.823 -24.510   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.362 -25.952   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.881 -26.207   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      21.124 -23.138   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      21.444 -24.644   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      21.124 -23.138   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      19.586 -23.057   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      18.536 -24.183   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      19.220 -21.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      17.709 -21.636   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      20.417 -20.960   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      21.751 -21.730   0.000  0.00  0.00           N+0
HETATM   30 Fe   UNK     0      23.085 -20.960   0.000  0.00  0.00          Fe+3
HETATM   31  N   UNK     0      23.085 -19.420   0.000  0.00  0.00           N+0
HETATM   32  C   UNK     0      21.751 -18.650   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      20.417 -19.420   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      21.751 -21.730   0.000  0.00  0.00           N+0
HETATM   35  C   UNK     0      25.906 -23.669   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      26.387 -25.132   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      26.841 -22.049   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      28.348 -21.735   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      28.830 -20.272   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      30.337 -19.958   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      31.363 -21.106   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      30.819 -18.495   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   32                                                  
CONECT    3    2    4    9                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    3   10   31                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12   37                                                  
CONECT   12   11   13   30                                                  
CONECT   13   12   14   35                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   34                                                  
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18   22   34                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   29                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   33                                                  
CONECT   29   23   28   30                                                  
CONECT   30   12   29   31   34                                             
CONECT   31    9   30   32                                                  
CONECT   32    2   31   33                                                  
CONECT   33   28   32                                                       
CONECT   34   15   21   30                                                  
CONECT   35   13   36   37                                                  
CONECT   36   35                                                            
CONECT   37   11   35   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   98    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₃H₃₂FeN₄O₄

Average Mass

604.4860 Da

Monoisotopic Mass

604.17565 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1=C(CCC(O)=O)C2=CC3=[N]4C(=CC5=C(C)C(C=C)=C6C=C7C(C)=C(C)C8=[N]7[Fe+3]4(N2C1=C8)N56)C(C)=C3CCC(O)=O

InChI Identifier

InChI=1/C33H34N4O4.Fe/c1-7-21-18(4)26-13-28-20(6)23(9-11-33(40)41)31(37-28)15-30-22(8-10-32(38)39)19(5)27(36-30)12-24-16(2)17(3)25(34-24)14-29(21)35-26;/h7,12-15H,1,8-11H2,2-6H3,(H4,34,35,36,37,38,39,40,41);/q;+5/p-2/b24-12-,25-14?,26-13-,27-12-,28-13-,29-14?,30-15-,31-15-;

InChI Key

DIJBTMZFNNUACZ-NHCNHRESNA-L

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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

External Links

Not Available

References

General References

Not Available

Showing NP-Card for Ferricytochrome (NP0339396)

MOL for NP0339396 (Ferricytochrome)

3D MOL for NP0339396 (Ferricytochrome)

3D SDF for NP0339396 (Ferricytochrome)

3D-SDF for NP0339396 (Ferricytochrome)

PDB for NP0339396 (Ferricytochrome)

3D PDB for NP0339396 (Ferricytochrome)

SMILES for NP0339396 (Ferricytochrome)

INCHI for NP0339396 (Ferricytochrome)

Structure for NP0339396 (Ferricytochrome)

3D Structure for NP0339396 (Ferricytochrome)