NP-MRD: Showing NP-Card for Pentaminomycin G (NP0353628)

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Record Information

Version

2.0

Created at

2026-02-24 07:46:12 UTC

Updated at

2026-02-24 08:14:08 UTC

NP-MRD ID

NP0353628

Natural Product DOI

https://doi.org/10.57994/8167

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Pentaminomycin G

Description

Pentaminomycin G was first documented in 2021 (PMID: 33793225).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 03252304582D          

 55 59  0  0  1  0            999 V2000
    4.6620    7.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    7.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    8.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4245    6.5840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5995    6.5840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474    7.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3024    7.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    7.0256    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6884    7.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9434    8.4233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3913    9.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6463    9.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4532    9.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2318    5.9054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4356    6.3903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1456    5.0849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 34 36  1  0  0  0  0
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 30 39  1  0  0  0  0
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 42 53  1  0  0  0  0
 53 54  1  0  0  0  0
  4 54  1  0  0  0  0
 54 55  2  0  0  0  0
M  END


  Mrv2104 03252304582D          

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    5.5259    2.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2404    1.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9549    2.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2404    3.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6620    5.8696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4 54  1  0  0  0  0
 54 55  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353628

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)[C@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=N2)NC(=O)[C@H](CCCN(O)C(N)=N)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C39H48N10O6/c1-23(2)33-38(54)47-31(20-25-22-43-28-15-7-6-14-27(25)28)35(51)44-29(16-10-18-49(55)39(40)41)34(50)46-32(21-26-13-8-9-17-42-26)36(52)45-30(37(53)48-33)19-24-11-4-3-5-12-24/h3-9,11-15,17,22-23,29-33,43,55H,10,16,18-21H2,1-2H3,(H3,40,41)(H,44,51)(H,45,52)(H,46,50)(H,47,54)(H,48,53)/t29-,30-,31-,32+,33+/m0/s1

> <INCHI_KEY>
XTBCLZFSRIZPED-IJLINHMISA-N

> <FORMULA>
C39H48N10O6

> <MOLECULAR_WEIGHT>
752.877

> <EXACT_MASS>
752.375829306

$$$$

HEADER    PROTEIN                                 25-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAR-23         0                                  
HETATM    1  C   UNK     0       8.702  13.624   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.162  13.624   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.392  14.958   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.392  12.290   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       4.852  12.290   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       3.822  13.435   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.298  14.899   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.316  13.114   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.285  14.259   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.761  15.724   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.730  16.868   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.206  18.333   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.713  18.653   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.743  17.508   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.267  16.044   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       1.840  11.650   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       0.433  11.023   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -0.813  11.929   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.272   9.492   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -1.135   8.866   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -2.381   9.771   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.788   9.144   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -5.034  10.050   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.873  11.581   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -3.466  12.207   0.000  0.00  0.00           C+0
HETATM   26  N   UNK     0      -2.220  11.302   0.000  0.00  0.00           N+0
HETATM   27  N   UNK     0       1.518   8.587   0.000  0.00  0.00           N+0
HETATM   28  C   UNK     0       1.679   7.055   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       0.433   6.150   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       3.086   6.429   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.246   4.897   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.001   3.992   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.594   4.618   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      -0.652   3.713   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0      -0.491   2.182   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -2.059   4.340   0.000  0.00  0.00           C+0
HETATM   37  N   UNK     0      -2.220   5.871   0.000  0.00  0.00           N+0
HETATM   38  N   UNK     0      -3.305   3.434   0.000  0.00  0.00           N+0
HETATM   39  N   UNK     0       4.331   7.334   0.000  0.00  0.00           N+0
HETATM   40  C   UNK     0       5.838   7.014   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0       6.314   5.549   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       6.868   8.158   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       8.375   7.838   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.850   6.373   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       7.945   5.128   0.000  0.00  0.00           C+0
HETATM   46  N   UNK     0       8.850   3.882   0.000  0.00  0.00           N+0
HETATM   47  C   UNK     0      10.315   4.358   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      11.649   3.588   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      12.982   4.358   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0      12.982   5.898   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0      11.649   6.668   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      10.315   5.898   0.000  0.00  0.00           C+0
HETATM   53  N   UNK     0       6.392   9.623   0.000  0.00  0.00           N+0
HETATM   54  C   UNK     0       7.162  10.957   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0       8.702  10.957   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   54                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   16                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   15                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   10                                                       
CONECT   16    8   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   27                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   26                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   21                                                       
CONECT   27   19   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   39                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   30   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43   53                                                  
CONECT   43   42   44                                                       
CONECT   44   43   45   52                                                  
CONECT   45   44   46                                                       
CONECT   46   45   47                                                       
CONECT   47   46   48   52                                                  
CONECT   48   47   49                                                       
CONECT   49   48   50                                                       
CONECT   50   49   51                                                       
CONECT   51   50   52                                                       
CONECT   52   51   44   47                                                  
CONECT   53   42   54                                                       
CONECT   54   53    4   55                                                  
CONECT   55   54                                                            
MASTER        0    0    0    0    0    0    0    0   55    0  118    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₄₈N₁₀O₆

Average Mass

752.8770 Da

Monoisotopic Mass

752.37583 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)[C@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@@H](CC2=CC=CC=N2)NC(=O)[C@H](CCCN(O)C(N)=N)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC1=O

InChI Identifier

InChI=1S/C39H48N10O6/c1-23(2)33-38(54)47-31(20-25-22-43-28-15-7-6-14-27(25)28)35(51)44-29(16-10-18-49(55)39(40)41)34(50)46-32(21-26-13-8-9-17-42-26)36(52)45-30(37(53)48-33)19-24-11-4-3-5-12-24/h3-9,11-15,17,22-23,29-33,43,55H,10,16,18-21H2,1-2H3,(H3,40,41)(H,44,51)(H,45,52)(H,46,50)(H,47,54)(H,48,53)/t29-,30-,31-,32+,33+/m0/s1

InChI Key

XTBCLZFSRIZPED-IJLINHMISA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 500.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-24	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125.0, Dimethylsulfoxide-d6, simulated)	[email protected]	Not Available	Not Available	2026-02-24	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Streptomyces cacaoi subsp. cacaoi NBRC 12748T		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

DOI: 10.1021/acs.jnatprod.0c01199

Showing NP-Card for Pentaminomycin G (NP0353628)

MOL for NP0353628 (Pentaminomycin G)

3D MOL for NP0353628 (Pentaminomycin G)

3D SDF for NP0353628 (Pentaminomycin G)

3D-SDF for NP0353628 (Pentaminomycin G)

PDB for NP0353628 (Pentaminomycin G)

3D PDB for NP0353628 (Pentaminomycin G)

SMILES for NP0353628 (Pentaminomycin G)

INCHI for NP0353628 (Pentaminomycin G)

Structure for NP0353628 (Pentaminomycin G)

3D Structure for NP0353628 (Pentaminomycin G)