NP-MRD: Showing NP-Card for spiromycin F (NP0354033)

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Record Information

Version

2.0

Created at

2026-05-07 01:48:31 UTC

Updated at

2026-05-07 04:00:33 UTC

NP-MRD ID

NP0354033

Natural Product DOI

https://doi.org/10.57994/8599

Secondary Accession Numbers

None

Natural Product Identification

Common Name

spiromycin F

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 06042322542D          

 40 43  0  0  1  0            999 V2000
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  2 39  1  0  0  0  0
 32 40  2  0  0  0  0
M  END


  Mrv2104 06042322542D          

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   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END
> <DATABASE_ID>
NP0354033

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)C[C@H]1O[C@]2(O[C@@H](C)CC(=O)[C@H]2O)C2=C([C@H]1SC[C@H](NC(C)=O)C(O)=O)C(=O)C1=CC=CC(O)=C1C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C26H27NO12S/c1-10-7-15(30)24(34)26(38-10)20-19(21(32)12-5-4-6-14(29)18(12)22(20)33)23(16(39-26)8-17(31)37-3)40-9-13(25(35)36)27-11(2)28/h4-6,10,13,16,23-24,29,34H,7-9H2,1-3H3,(H,27,28)(H,35,36)/t10-,13-,16+,23-,24+,26+/m0/s1

> <INCHI_KEY>
KMXIWWIEIAYMAZ-AWFOGUKPSA-N

> <FORMULA>
C26H27NO12S

> <MOLECULAR_WEIGHT>
577.56

> <EXACT_MASS>
577.125396487

$$$$

HEADER    PROTEIN                                 04-JUN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-JUN-23         0                                  
HETATM    1  O   UNK     0      -5.335  -4.620   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -3.370  -5.559   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  S   UNK     0       1.334  -5.390   0.000  0.00  0.00           S+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       5.335  -4.620   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   15  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       2.667  -0.000   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -4.001  -3.850   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -5.335  -1.540   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.001   0.770   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.667  -1.540   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -6.668  -3.850   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4   23                                                  
CONECT    4    3    5   32                                                  
CONECT    5    4    6   16                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13    8   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13                                                            
CONECT   16    5   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18   20                                                       
CONECT   20   19                                                            
CONECT   21   18                                                            
CONECT   22   16   23                                                       
CONECT   23   22    3   24   30                                             
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   23                                                       
CONECT   31   26                                                            
CONECT   32    4   33   40                                                  
CONECT   33   32   34   39                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   33    2                                                  
CONECT   40   32                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₆H₂₇NO₁₂S

Average Mass

577.5600 Da

Monoisotopic Mass

577.12540 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC(=O)C[C@H]1O[C@]2(O[C@@H](C)CC(=O)[C@H]2O)C2=C([C@H]1SC[C@H](NC(C)=O)C(O)=O)C(=O)C1=CC=CC(O)=C1C2=O

InChI Identifier

InChI=1S/C26H27NO12S/c1-10-7-15(30)24(34)26(38-10)20-19(21(32)12-5-4-6-14(29)18(12)22(20)33)23(16(39-26)8-17(31)37-3)40-9-13(25(35)36)27-11(2)28/h4-6,10,13,16,23-24,29,34H,7-9H2,1-3H3,(H,27,28)(H,35,36)/t10-,13-,16+,23-,24+,26+/m0/s1

InChI Key

KMXIWWIEIAYMAZ-AWFOGUKPSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	[email protected]	无	ztf413820	2026-05-07	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces		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 spiromycin F (NP0354033)

MOL for NP0354033 (spiromycin F)

3D MOL for NP0354033 (spiromycin F)

3D SDF for NP0354033 (spiromycin F)

3D-SDF for NP0354033 (spiromycin F)

PDB for NP0354033 (spiromycin F)

3D PDB for NP0354033 (spiromycin F)

SMILES for NP0354033 (spiromycin F)

INCHI for NP0354033 (spiromycin F)

Structure for NP0354033 (spiromycin F)

3D Structure for NP0354033 (spiromycin F)