NP-MRD: Showing NP-Card for putrescinamide B (NP0351689)

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Record Information

Version

2.0

Created at

2025-10-15 00:57:47 UTC

Updated at

2025-10-16 01:00:52 UTC

NP-MRD ID

NP0351689

Natural Product DOI

https://doi.org/10.57994/4757

Secondary Accession Numbers

None

Natural Product Identification

Common Name

putrescinamide B

Description

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

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 04202318092D          

 26 25  0  0  1  0            999 V2000
    0.5838    8.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    8.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    9.4768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5450   10.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166    9.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    9.6656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    9.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2495    9.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9032   10.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    9.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196   10.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0823    9.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7361   10.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4987   10.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6077    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9540    8.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629    7.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8256    7.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    8.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    7.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8958    8.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6585    8.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3122    8.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9420    8.5333    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  2  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  2  0  0  0  0
M  END


  Mrv2104 04202318092D          

 26 25  0  0  1  0            999 V2000
    0.5838    8.7849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0002    8.9736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539    9.4768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5450   10.2946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166    9.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    9.6656    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8330    9.3510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868    9.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2495    9.5397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9032   10.0430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    9.7285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196   10.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0823    9.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7361   10.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4987   10.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6077    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9540    8.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0629    7.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8256    7.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4793    8.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420    7.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8958    8.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6585    8.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3122    8.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9420    8.5333    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  2  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
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
  8 26  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0351689

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC\C=C/CCCCCCCCCC(=O)NC[C@H](O)CCN

> <INCHI_IDENTIFIER>
InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-20-21(25)18-19-23/h7-8,21,25H,2-6,9-20,23H2,1H3,(H,24,26)/b8-7-/t21-/m1/s1

> <INCHI_KEY>
UJPXYHUDRJWFRC-GIWCCYDRSA-N

> <FORMULA>
C22H44N2O2

> <MOLECULAR_WEIGHT>
368.606

> <EXACT_MASS>
368.340278665

$$$$

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       1.090  16.398   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.310  17.338   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.734  16.751   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.954  17.690   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       4.751  19.217   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       6.378  17.103   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       7.598  18.042   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       9.022  17.455   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      10.242  18.395   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      11.666  17.808   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      12.886  18.747   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.310  18.160   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      15.530  19.099   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.954  18.512   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.174  19.451   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.598  18.864   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      19.801  17.338   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      18.581  16.398   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.784  14.872   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      20.208  14.285   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      21.428  15.224   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      22.852  14.637   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      24.072  15.576   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      25.496  14.989   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      26.716  15.929   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0       9.225  15.929   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   26                                                  
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   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26    8                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₄₄N₂O₂

Average Mass

368.6060 Da

Monoisotopic Mass

368.34028 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCC\C=C/CCCCCCCCCC(=O)NC[C@H](O)CCN

InChI Identifier

InChI=1S/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-20-21(25)18-19-23/h7-8,21,25H,2-6,9-20,23H2,1H3,(H,24,26)/b8-7-/t21-/m1/s1

InChI Key

UJPXYHUDRJWFRC-GIWCCYDRSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3OD, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 601 MHz, CD3CN, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, C2D6OS, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 601 MHz, C5D5N, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, CD3OD, experimental)	[email protected]	Simon Fraser University	Liana Zaroubi	2025-10-15	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 601 MHz, C5D5N, experimental)	[email protected]	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 B (NP0351689)

MOL for NP0351689 (putrescinamide B)

3D MOL for NP0351689 (putrescinamide B)

3D SDF for NP0351689 (putrescinamide B)

3D-SDF for NP0351689 (putrescinamide B)

PDB for NP0351689 (putrescinamide B)

3D PDB for NP0351689 (putrescinamide B)

SMILES for NP0351689 (putrescinamide B)

INCHI for NP0351689 (putrescinamide B)

Structure for NP0351689 (putrescinamide B)

3D Structure for NP0351689 (putrescinamide B)