NP-MRD: Showing NP-Card for Largimycin C11 (NP0352047)

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Record Information

Version

2.0

Created at

2025-12-19 22:07:02 UTC

Updated at

2026-05-08 03:35:07 UTC

NP-MRD ID

NP0352047

Natural Product DOI

https://doi.org/10.57994/5122

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Largimycin C11

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01172319252D          

 35 36  0  0  1  0            999 V2000
    1.2523   -4.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -5.8458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9558   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -6.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8163   -7.1153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0712   -6.3307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111   -7.9349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6682   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -8.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436   -9.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664   -7.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2389   -6.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890   -7.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612   -6.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -3.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.4777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7425    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    2.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    2.0361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    1.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    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  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  9 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  1  0  0  0
 28 33  2  0  0  0  0
 33 34  1  0  0  0  0
 27 35  2  0  0  0  0
 24 35  1  0  0  0  0
M  END


  Mrv2104 01172319252D          

 35 36  0  0  1  0            999 V2000
    1.2523   -4.0065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4454   -3.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1067   -4.4481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1483   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4038   -5.8458    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9558   -5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2637   -6.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087   -7.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8163   -7.1153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0712   -6.3307    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9111   -7.9349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6682   -8.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2488   -8.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5084   -8.0991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3436   -9.2463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5664   -7.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2389   -6.9809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9890   -7.3243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1612   -6.1595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904   -3.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7425   -2.4373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875   -1.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7846    1.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0396    1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4875    2.4777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7425    3.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1904    3.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3194    2.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8465    2.0361    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3986    1.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    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  2  0  0  0  0
  5  4  1  6  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 11  1  1  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
  9 16  1  6  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 29 32  1  1  0  0  0
 28 33  2  0  0  0  0
 33 34  1  0  0  0  0
 27 35  2  0  0  0  0
 24 35  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0352047

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@@H](C(O)=O)[C@]1(CC(O)=O)CC[C@](C)(S1)\C=C\C(=O)\C=C\C=C\C1=COC(=N1)C(=N/O)\[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C23H28N2O9S/c1-14(21(31)32)23(11-18(29)30)10-9-22(2,35-23)8-7-16(27)6-4-3-5-15-13-34-20(24-15)19(25-33)17(28)12-26/h3-8,13-14,17,26,28,33H,9-12H2,1-2H3,(H,29,30)(H,31,32)/b5-3+,6-4+,8-7+,25-19-/t14-,17-,22+,23+/m0/s1

> <INCHI_KEY>
SPVOHXNAVRZLJL-NOMYRQLNSA-N

> <FORMULA>
C23H28N2O9S

> <MOLECULAR_WEIGHT>
508.54

> <EXACT_MASS>
508.151551664

$$$$

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  O   UNK     0       2.338  -7.479   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       0.831  -7.159   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.199  -8.303   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.277  -9.768   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.754 -10.912   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.784  -9.768   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.492 -11.817   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.016 -13.282   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.524 -13.282   0.000  0.00  0.00           C+0
HETATM   10  S   UNK     0      -2.000 -11.817   0.000  0.00  0.00           S+0
HETATM   11  C   UNK     0      -1.701 -14.812   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.114 -15.423   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.464 -15.730   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.949 -15.118   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0      -0.641 -17.260   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      -2.924 -13.923   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.179 -13.031   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -5.579 -13.672   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -4.034 -11.498   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.355  -5.694   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.386  -4.550   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.910  -3.085   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.941  -1.941   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -0.000   1.540   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0       1.465   2.016   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.941   3.481   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.910   4.625   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.386   6.090   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       0.355   7.234   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -0.596   4.305   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0       3.447   3.801   0.000  0.00  0.00           N+0
HETATM   34  O   UNK     0       4.477   2.656   0.000  0.00  0.00           O+0
HETATM   35  N   UNK     0       2.370   0.770   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6    7   10                                             
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11   16                                             
CONECT   10    9    5                                                       
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    9   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    2   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   35                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   35                                                  
CONECT   28   27   29   33                                                  
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30                                                            
CONECT   32   29                                                            
CONECT   33   28   34                                                       
CONECT   34   33                                                            
CONECT   35   27   24                                                       
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₃H₂₈N₂O₉S

Average Mass

508.5400 Da

Monoisotopic Mass

508.15155 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

C[C@@H](C(O)=O)[C@]1(CC(O)=O)CC[C@](C)(S1)\C=C\C(=O)\C=C\C=C\C1=COC(=N1)C(=N/O)\[C@@H](O)CO

InChI Identifier

InChI=1S/C23H28N2O9S/c1-14(21(31)32)23(11-18(29)30)10-9-22(2,35-23)8-7-16(27)6-4-3-5-15-13-34-20(24-15)19(25-33)17(28)12-26/h3-8,13-14,17,26,28,33H,9-12H2,1-2H3,(H,29,30)(H,31,32)/b5-3+,6-4+,8-7+,25-19-/t14-,17-,22+,23+/m0/s1

InChI Key

SPVOHXNAVRZLJL-NOMYRQLNSA-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
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 C11 (NP0352047)

MOL for NP0352047 (Largimycin C11)

3D MOL for NP0352047 (Largimycin C11)

3D SDF for NP0352047 (Largimycin C11)

3D-SDF for NP0352047 (Largimycin C11)

PDB for NP0352047 (Largimycin C11)

3D PDB for NP0352047 (Largimycin C11)

SMILES for NP0352047 (Largimycin C11)

INCHI for NP0352047 (Largimycin C11)

Structure for NP0352047 (Largimycin C11)

3D Structure for NP0352047 (Largimycin C11)