NP-MRD: Showing NP-Card for Largimycin C25 (NP0352052)

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Record Information

Version

2.0

Created at

2025-12-19 22:15:21 UTC

Updated at

2026-05-08 03:35:23 UTC

NP-MRD ID

NP0352052

Natural Product DOI

https://doi.org/10.57994/5127

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Largimycin C25

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01172319332D          

 33 35  0  0  1  0            999 V2000
    6.0749    4.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6935    4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1362    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    3.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2919    2.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2275    2.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6702    2.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8692    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877    3.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    3.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    2.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9918    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8161    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588    0.6916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0831    0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5258    0.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3501    0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7315    0.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2888    1.4939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7310    0.8860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1231    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809    2.0517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6455    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2989    1.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7928   -0.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773   -0.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    2.1192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218    2.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490    2.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23  7  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  6  0  0  0
 25 28  2  0  0  0  0
 21 29  2  0  0  0  0
 18 30  1  1  0  0  0
 17 31  2  0  0  0  0
 31 32  1  0  0  0  0
 16 33  2  0  0  0  0
 13 33  1  0  0  0  0
M  END


  Mrv2104 01172319332D          

 33 35  0  0  1  0            999 V2000
    6.0749    4.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6935    4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1362    3.5468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    3.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2919    2.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2275    2.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6702    2.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8692    4.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4877    3.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6635    3.4407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    2.7092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6715    1.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030    0.7745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9918    1.3523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8161    1.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2588    0.6916    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0831    0.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5258    0.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3501    0.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7315    0.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2888    1.4939    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7310    0.8860    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.1231    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6809    2.0517    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6455    2.8759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2989    1.4084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7928   -0.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8773   -0.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1975    2.1192    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0218    2.1546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5490    2.0484    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  0  0  0  0
 23  7  1  0  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 26 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  6  0  0  0
 25 28  2  0  0  0  0
 21 29  2  0  0  0  0
 18 30  1  1  0  0  0
 17 31  2  0  0  0  0
 31 32  1  0  0  0  0
 16 33  2  0  0  0  0
 13 33  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0352052

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C(=O)S[C@@]11CC\C(C)=C\CC(=C)\C=C\C=C/C2=COC(=N2)\C(=N\O)[C@H](O)COC(=O)C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H28N2O6S/c1-15-6-4-5-7-18-13-32-22(25-18)21(26-30)19(27)14-31-20(28)12-24(17(3)23(29)33-24)11-10-16(2)9-8-15/h4-7,9,13,17,19,27,30H,1,8,10-12,14H2,2-3H3/b6-4+,7-5-,16-9+,26-21+/t17-,19+,24+/m0/s1

> <INCHI_KEY>
IGLATADZZJYEDV-JXJUDXKKSA-N

> <FORMULA>
C24H28N2O6S

> <MOLECULAR_WEIGHT>
472.56

> <EXACT_MASS>
472.166807804

$$$$

HEADER    PROTEIN                                 17-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-JAN-23         0                                  
HETATM    1  C   UNK     0      11.340   9.286   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.628   7.920   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.454   6.621   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.993   6.687   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      13.612   5.322   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.358   5.453   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.184   4.154   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.911   4.645   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.089   7.854   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.377   6.489   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.839   6.423   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.126   5.057   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.953   3.758   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.853   2.158   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       8.219   1.446   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.318   2.524   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.857   2.590   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.683   1.291   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      13.222   1.357   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      14.048   0.058   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      15.587   0.124   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.299   1.489   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      15.472   2.789   0.000  0.00  0.00           C+0
HETATM   24  S   UNK     0      14.431   1.654   0.000  0.00  0.00           S+0
HETATM   25  C   UNK     0      13.296   2.695   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.338   3.830   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      14.272   5.368   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      11.758   2.629   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      16.413  -1.176   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      10.971  -0.075   0.000  0.00  0.00           O+0
HETATM   31  N   UNK     0      11.569   3.956   0.000  0.00  0.00           N+0
HETATM   32  O   UNK     0      13.107   4.022   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0       8.492   3.824   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    8                                                  
CONECT    6    5    7                                                       
CONECT    7    6   23                                                       
CONECT    8    5                                                            
CONECT    9    2   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   33                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   33                                                  
CONECT   17   16   18   31                                                  
CONECT   18   17   19   30                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22   29                                                  
CONECT   22   21   23                                                       
CONECT   23   22    7   24   26                                             
CONECT   24   23   25                                                       
CONECT   25   24   26   28                                                  
CONECT   26   25   23   27                                                  
CONECT   27   26                                                            
CONECT   28   25                                                            
CONECT   29   21                                                            
CONECT   30   18                                                            
CONECT   31   17   32                                                       
CONECT   32   31                                                            
CONECT   33   16   13                                                       
MASTER        0    0    0    0    0    0    0    0   33    0   70    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₂₈N₂O₆S

Average Mass

472.5600 Da

Monoisotopic Mass

472.16681 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@H]1C(=O)S[C@@]11CC\C(C)=C\CC(=C)\C=C\C=C/C2=COC(=N2)\C(=N\O)[C@H](O)COC(=O)C1

InChI Identifier

InChI=1S/C24H28N2O6S/c1-15-6-4-5-7-18-13-32-22(25-18)21(26-30)19(27)14-31-20(28)12-24(17(3)23(29)33-24)11-10-16(2)9-8-15/h4-7,9,13,17,19,27,30H,1,8,10-12,14H2,2-3H3/b6-4+,7-5-,16-9+,26-21+/t17-,19+,24+/m0/s1

InChI Key

IGLATADZZJYEDV-JXJUDXKKSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	[email protected]	CSIC	Ignacio Pérez-Victoria	2025-12-19	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	[email protected]	CSIC	Ignacio Pérez-Victoria	2025-12-19	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	[email protected]	CSIC	Ignacio Pérez-Victoria	2025-12-19	View Spectrum
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 500 MHz, C2D6OS, experimental)	[email protected]	CSIC	Ignacio Pérez-Victoria	2025-12-19	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, C2D6OS, experimental)	[email protected]	CSIC	Ignacio Pérez-Victoria	2025-12-19	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces Streptomyces argillaceus		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

Showing NP-Card for Largimycin C25 (NP0352052)

MOL for NP0352052 (Largimycin C25)

3D MOL for NP0352052 (Largimycin C25)

3D SDF for NP0352052 (Largimycin C25)

3D-SDF for NP0352052 (Largimycin C25)

PDB for NP0352052 (Largimycin C25)

3D PDB for NP0352052 (Largimycin C25)

SMILES for NP0352052 (Largimycin C25)

INCHI for NP0352052 (Largimycin C25)

Structure for NP0352052 (Largimycin C25)

3D Structure for NP0352052 (Largimycin C25)