NP-MRD: Showing NP-Card for Fusadapamide B (NP0351698)

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Record Information

Version

2.0

Created at

2025-10-17 20:48:26 UTC

Updated at

2025-10-18 01:00:36 UTC

NP-MRD ID

NP0351698

Natural Product DOI

https://doi.org/10.57994/4766

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Fusadapamide B

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04232314002D          

 28 27  0  0  1  0            999 V2000
    7.6164    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0454    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1888    4.8099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 16 26  2  0  0  0  0
  9 27  2  0  0  0  0
  2 28  2  0  0  0  0
M  END


  Mrv2104 04232314002D          

 28 27  0  0  1  0            999 V2000
    7.6164    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0454    2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    2.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1888    4.8099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    5.2224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  1  0  0  0
  8  9  1  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 10 14  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 17 16  1  0  0  0  0
 17 18  1  1  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 16 26  2  0  0  0  0
  9 27  2  0  0  0  0
  2 28  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351698

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CNC(C)=O)N(C)C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C19H36N4O5/c1-11(2)9-14(19(27)28)21-17(25)16(12(3)4)23(8)18(26)15(22(6)7)10-20-13(5)24/h11-12,14-16H,9-10H2,1-8H3,(H,20,24)(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1

> <INCHI_KEY>
IUEVFGCBSFOMHV-JYJNAYRXSA-N

> <FORMULA>
C19H36N4O5

> <MOLECULAR_WEIGHT>
400.52

> <EXACT_MASS>
400.268570275

$$$$

HEADER    PROTEIN                                 23-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-APR-23         0                                  
HETATM    1  O   UNK     0      14.217   9.748   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      12.884   8.978   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.883   6.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.216   8.978   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0      14.217   6.668   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      16.885   5.128   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.218   4.358   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.551   4.358   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0      18.218   7.438   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      18.218   8.978   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      20.886   8.978   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      22.219   9.748   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      19.552   9.748   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      22.219   6.668   0.000  0.00  0.00           C+0
HETATM   22  N   UNK     0      23.553   7.438   0.000  0.00  0.00           N+0
HETATM   23  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      26.220   7.438   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      24.887   5.128   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0      19.552   5.128   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0      15.551   8.978   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0      11.550   9.748   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   28                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5                                                            
CONECT    8    3    9                                                       
CONECT    9    8   10   27                                                  
CONECT   10    9   11   14                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
CONECT   14   10   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   26                                                  
CONECT   17   16   18   21                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   17   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
CONECT   26   16                                                            
CONECT   27    9                                                            
CONECT   28    2                                                            
MASTER        0    0    0    0    0    0    0    0   28    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₉H₃₆N₄O₅

Average Mass

400.5200 Da

Monoisotopic Mass

400.26857 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)C[C@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CNC(C)=O)N(C)C)C(O)=O

InChI Identifier

InChI=1S/C19H36N4O5/c1-11(2)9-14(19(27)28)21-17(25)16(12(3)4)23(8)18(26)15(22(6)7)10-20-13(5)24/h11-12,14-16H,9-10H2,1-8H3,(H,20,24)(H,21,25)(H,27,28)/t14-,15-,16-/m0/s1

InChI Key

IUEVFGCBSFOMHV-JYJNAYRXSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	wittetom@gmail.com	Agriculture and Agri-Food Canada	Thomas Witte	2025-10-17	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C2D6OS, experimental)	wittetom@gmail.com	Agriculture and Agri-Food Canada	Thomas Witte	2025-10-17	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C2D6OS, experimental)	wittetom@gmail.com	Agriculture and Agri-Food Canada	Thomas Witte	2025-10-17	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Fusarium poae		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 Fusadapamide B (NP0351698)

MOL for NP0351698 (Fusadapamide B)

3D MOL for NP0351698 (Fusadapamide B)

3D SDF for NP0351698 (Fusadapamide B)

3D-SDF for NP0351698 (Fusadapamide B)

PDB for NP0351698 (Fusadapamide B)

3D PDB for NP0351698 (Fusadapamide B)

SMILES for NP0351698 (Fusadapamide B)

INCHI for NP0351698 (Fusadapamide B)

Structure for NP0351698 (Fusadapamide B)

3D Structure for NP0351698 (Fusadapamide B)