NP-MRD: Showing NP-Card for putrescinamide A (NP0351688)

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Record Information

Version

2.0

Created at

2025-10-15 00:45:22 UTC

Updated at

2025-10-15 04:00:36 UTC

NP-MRD ID

NP0351688

Natural Product DOI

https://doi.org/10.57994/4756

Secondary Accession Numbers

None

Natural Product Identification

Common Name

putrescinamide A

Description

putrescinamide A was first documented in 2025 (PMID: 40960132).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04202317572D          

 24 23  0  0  1  0            999 V2000
    9.7086    6.4302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8520    7.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  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
 17 18  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
 22 23  1  0  0  0  0
  8 24  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351688

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCC(=O)NC[C@H](O)CCN

> <INCHI_IDENTIFIER>
InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-18-19(23)16-17-21/h19,23H,2-18,21H2,1H3,(H,22,24)/t19-/m1/s1

> <INCHI_KEY>
FTKGLLJEDWSFLE-LJQANCHMSA-N

> <FORMULA>
C20H42N2O2

> <MOLECULAR_WEIGHT>
342.568

> <EXACT_MASS>
342.3246286

$$$$

HEADER    PROTEIN                                 20-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-23         0                                  
HETATM    1  N   UNK     0      18.123  12.003   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0      19.456  12.773   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      22.124  12.773   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      22.124  14.313   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      23.457  12.003   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0      24.791  12.773   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      26.125  12.003   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.126  12.773   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      32.793  12.773   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      34.127  12.003   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      35.460  12.773   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      36.794  12.003   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      38.128  12.773   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      40.795  12.773   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      46.130  12.773   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      26.125  10.463   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   24                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24    8                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₄₂N₂O₂

Average Mass

342.5680 Da

Monoisotopic Mass

342.32463 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCC(=O)NC[C@H](O)CCN

InChI Identifier

InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-18-19(23)16-17-21/h19,23H,2-18,21H2,1H3,(H,22,24)/t19-/m1/s1

InChI Key

FTKGLLJEDWSFLE-LJQANCHMSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)	lza161@sfu.ca	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Paraburkholderia P. megapolitana RL18-039-BIC-B		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 putrescinamide A (NP0351688)

MOL for NP0351688 (putrescinamide A)

3D MOL for NP0351688 (putrescinamide A)

3D SDF for NP0351688 (putrescinamide A)

3D-SDF for NP0351688 (putrescinamide A)

PDB for NP0351688 (putrescinamide A)

3D PDB for NP0351688 (putrescinamide A)

SMILES for NP0351688 (putrescinamide A)

INCHI for NP0351688 (putrescinamide A)

Structure for NP0351688 (putrescinamide A)

3D Structure for NP0351688 (putrescinamide A)