MiMeDB: Showing metabocard for N8-Acetylspermidine (MMDBc0030324)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:03:31 UTC

Update Date

2022-08-31 17:43:42 UTC

Metabolite ID

MMDBc0030324

Metabolite Identification

Common Name

N8-Acetylspermidine

Description

N8-Acetylspermidine is a polyamine. The polyamines, found in virtually all living organisms, are a ubiquitous group of compounds that appear to play a vital role in many cellular processes involving nucleic acids including cell growth and differentiation. The polyamines, found in virtually all living organisms, are a ubiquitous group of compounds that appear to play a vital role in many cellular processes involving nucleic acids including cell growth and differentiation. Acetylation on the terminal nitrogen adjacent to the 4-carbon chain produces N8-acetylspermidine. This reaction is catalyzed by spermidine N8-acetyltransferase and does not result in the conversion of spermidine to putrescine but, instead, the product undergoes deacetylation.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0002189
     RDKit          3D
N8-Acetylspermidine
 34 33  0  0  0  0  0  0  0  0999 V2000
   -5.0102    1.9021    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7247    1.1923    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6861    1.8768    0.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6144   -0.2203    0.3014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799   -0.9643    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428   -0.5962   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -1.3456   -0.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869   -1.0571    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -1.6848    0.6982 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -1.3615   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -0.0961    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.1880   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893    2.2433   -0.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5680    1.9324    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6996    1.4122   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8416    2.9616   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170   -0.7681    0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.8170    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   -2.0504    0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2644    0.5181   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886   -0.7081   -1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9663   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -2.4226   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733   -0.0071    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825   -1.5774    1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -1.9662    1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -1.5382   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124   -2.1826    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.1257   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -0.0062    1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504    1.3465   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    1.4184    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512    2.2799    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6914    2.1903   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
M  END

HMDB0002189
     RDKit          3D
N8-Acetylspermidine
 34 33  0  0  0  0  0  0  0  0999 V2000
   -5.0102    1.9021    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7247    1.1923    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6861    1.8768    0.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6144   -0.2203    0.3014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799   -0.9643    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428   -0.5962   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -1.3456   -0.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869   -1.0571    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -1.6848    0.6982 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -1.3615   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -0.0961    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.1880   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893    2.2433   -0.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5680    1.9324    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6996    1.4122   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8416    2.9616   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170   -0.7681    0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.8170    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   -2.0504    0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2644    0.5181   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886   -0.7081   -1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9663   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -2.4226   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733   -0.0071    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825   -1.5774    1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -1.9662    1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -1.5382   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124   -2.1826    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.1257   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -0.0062    1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504    1.3465   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    1.4184    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512    2.2799    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6914    2.1903   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
M  END

HEADER    PROTEIN                                 10-JUN-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-JUN-19         0                                  
HETATM    1  O   UNK     0      42.776  -6.436   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0      50.779  -7.976   0.000  0.00  0.00           N+0
HETATM    3  N   UNK     0      44.110  -8.746   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      56.113  -7.976   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      52.112  -8.746   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      54.779  -8.746   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      49.445  -8.746   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      45.443  -7.976   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      53.446  -7.976   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      48.111  -7.976   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      46.777  -8.746   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      41.442  -8.746   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      42.776  -7.976   0.000  0.00  0.00           C+0
CONECT    1   13                                                            
CONECT    2    5    7                                                       
CONECT    3    8   13                                                       
CONECT    4    6                                                            
CONECT    5    2    9                                                       
CONECT    6    4    9                                                       
CONECT    7    2   10                                                       
CONECT    8    3   11                                                       
CONECT    9    5    6                                                       
CONECT   10    7   11                                                       
CONECT   11    8   10                                                       
CONECT   12   13                                                            
CONECT   13    1    3   12                                                  
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END

COMPND    HMDB0002189
HETATM    1  C1  UNL     1      -5.010   1.902   0.268  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.725   1.192   0.365  1.00  0.00           C  
HETATM    3  O1  UNL     1      -2.686   1.877   0.509  1.00  0.00           O  
HETATM    4  N1  UNL     1      -3.614  -0.220   0.301  1.00  0.00           N  
HETATM    5  C3  UNL     1      -2.380  -0.964   0.386  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.443  -0.596  -0.716  1.00  0.00           C  
HETATM    7  C5  UNL     1      -0.135  -1.346  -0.717  1.00  0.00           C  
HETATM    8  C6  UNL     1       0.587  -1.057   0.579  1.00  0.00           C  
HETATM    9  N2  UNL     1       1.834  -1.685   0.698  1.00  0.00           N  
HETATM   10  C7  UNL     1       2.930  -1.362  -0.086  1.00  0.00           C  
HETATM   11  C8  UNL     1       3.659  -0.096   0.046  1.00  0.00           C  
HETATM   12  C9  UNL     1       2.966   1.188  -0.171  1.00  0.00           C  
HETATM   13  N3  UNL     1       3.989   2.243  -0.011  1.00  0.00           N  
HETATM   14  H1  UNL     1      -5.568   1.932   1.241  1.00  0.00           H  
HETATM   15  H2  UNL     1      -5.700   1.412  -0.468  1.00  0.00           H  
HETATM   16  H3  UNL     1      -4.842   2.962  -0.002  1.00  0.00           H  
HETATM   17  H4  UNL     1      -4.517  -0.768   0.183  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.912  -0.817   1.397  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.615  -2.050   0.308  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.264   0.518  -0.653  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.989  -0.708  -1.687  1.00  0.00           H  
HETATM   22  H9  UNL     1       0.429  -0.966  -1.600  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.357  -2.423  -0.858  1.00  0.00           H  
HETATM   24  H11 UNL     1       0.473  -0.007   0.810  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.082  -1.577   1.361  1.00  0.00           H  
HETATM   26  H13 UNL     1       2.019  -1.966   1.688  1.00  0.00           H  
HETATM   27  H14 UNL     1       2.690  -1.538  -1.172  1.00  0.00           H  
HETATM   28  H15 UNL     1       3.712  -2.183   0.098  1.00  0.00           H  
HETATM   29  H16 UNL     1       4.514  -0.126  -0.703  1.00  0.00           H  
HETATM   30  H17 UNL     1       4.209  -0.006   1.028  1.00  0.00           H  
HETATM   31  H18 UNL     1       2.550   1.346  -1.184  1.00  0.00           H  
HETATM   32  H19 UNL     1       2.235   1.418   0.642  1.00  0.00           H  
HETATM   33  H20 UNL     1       4.351   2.280   0.956  1.00  0.00           H  
HETATM   34  H21 UNL     1       4.691   2.190  -0.766  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    3    4
CONECT    4    5   17
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22   23
CONECT    8    9   24   25
CONECT    9   10   26
CONECT   10   11   27   28
CONECT   11   12   29   30
CONECT   12   13   31   32
CONECT   13   33   34
END

HMDB0002189
     RDKit          3D
N8-Acetylspermidine
 34 33  0  0  0  0  0  0  0  0999 V2000
   -5.0102    1.9021    0.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7247    1.1923    0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6861    1.8768    0.5088 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6144   -0.2203    0.3014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3799   -0.9643    0.3859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4428   -0.5962   -0.7158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1353   -1.3456   -0.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5869   -1.0571    0.5789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -1.6848    0.6982 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -1.3615   -0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6589   -0.0961    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9659    1.1880   -0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9893    2.2433   -0.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5680    1.9324    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6996    1.4122   -0.4685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8416    2.9616   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5170   -0.7681    0.1829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117   -0.8170    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6149   -2.0504    0.3085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2644    0.5181   -0.6526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9886   -0.7081   -1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4292   -0.9663   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3574   -2.4226   -0.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733   -0.0071    0.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0825   -1.5774    1.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0186   -1.9662    1.6877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6904   -1.5382   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7124   -2.1826    0.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5141   -0.1257   -0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2086   -0.0062    1.0281 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5504    1.3465   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2351    1.4184    0.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3512    2.2799    0.9561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6914    2.1903   -0.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
M  END

Synonyms

Value	Source
N(8)-Monoacetylspermidine	ChEBI
N-[4-[(3-Aminopropyl)amino]butyl]-acetamide	HMDB
N(8)-Acetylspermidine dihydrochloride	MeSH, HMDB
N(8)-Acetylspermidine	MeSH, HMDB
N-[4-[(3-Aminopropyl)amino]butyl]acetamide	HMDB
N8-Acetylspermidine	HMDB
N8-Monoacetylspermidine	HMDB

Molecular Formula

C₉H₂₁N₃O

Average Mass

187.2825

Monoisotopic Mass

187.168462309

IUPAC Name

N-{4-[(3-aminopropyl)amino]butyl}acetamide

Traditional Name

N8-acetylspermidine

CAS Registry Number

13431-24-8

SMILES

CC(=O)NCCCCNCCCN

InChI Identifier

InChI=1S/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)

InChI Key

FONIWJIDLJEJTL-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboximidic acids and derivatives

Sub Class

Carboximidic acids

Direct Parent

Carboximidic acids

Alternative Parents

Substituents

Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Secondary amine
Secondary aliphatic amine
Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

acetylspermidine (CHEBI:27911 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	4.4 g/L	ALOGPS
logP	-0.48	ALOGPS
logP	-1.3	ChemAxon
logS	-1.6	ALOGPS
pKa (Strongest Acidic)	16.53	ChemAxon
pKa (Strongest Basic)	10.29	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	67.15 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	54.41 m³·mol⁻¹	ChemAxon
Polarizability	23.1 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces
Saliva
Urine

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Leukemia	Slight Increase	Association	Human Urine	HMDB	9464484
Thyroid cancer	Increased	Association	Human Urine	HMDB	2315288

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	90	Human feces; Human sputum; Human ; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	68	Human feces; Human	Metabolic reconstruction
Bacteria	Bacteroidetes	67	Human feces; Human	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	2	Human feces	Unknown

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified								HMDB
Human	Detected and Quantified	0.394	0.156			Adult (>18 years old)	Both	Leukemia	HMDB	9464484
Human	Detected and Quantified	0.063	0.03			Adult (>18 years old)	Female	Breast cancer	HMDB	17668437
Human	Detected and Quantified	0.2	0.24			Adult (>18 years old)	Female	Breast cancer	HMDB	17668437
Human	Detected and Quantified	0.88	0.14			Adult (>18 years old)	Both	Pancreatic cancer	HMDB	2315288
Human	Detected and Quantified	0.05	0.014			Adult (>18 years old)	Female	Normal	HMDB	17668437
Human	Detected and Quantified	0.22	0.02			Adult (>18 years old)	Both	Normal	HMDB	2315288
Human	Detected and Quantified	0.271	0.187			Adult (>18 years old)	Both		HMDB	9464484
Human	Detected and Quantified	0.30		0.15	0.65	Adult (>18 years old)	Both	Normal	HMDB	3757213
Human	Detected and Quantified	1.04	0.3			Adult (>18 years old)	Female	Normal	HMDB	17668437
Human	Detected and Quantified	0.0437	0.129			Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human	Detected and Quantified	0.136	0.190			Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human	Detected and Quantified	0.150	0.0787			Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human	Detected and Quantified	0.178	0.156			Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Urine	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	21389975
Human Urine	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	9464484
Human Blood	Detected but not Quantified					Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0002189

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022894

KNApSAcK ID

Not Available

Chemspider ID

110264

KEGG Compound ID

C01029

BioCyc ID

CPD-3462

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

6535

PubChem Compound

123689

PDB ID

Not Available

ChEBI ID

27911

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Hrushesky WJ, Merdink J, Abdel-Monem MM: Circadian rhythmicity of polyamine urinary excretion. Cancer Res. 1983 Aug;43(8):3944-7. [PubMed:6861156 ]
Seiler N, Graham A, Bartholeyns J: Enhanced urinary excretion of N1-acetylspermidine and the presence of tumors. Cancer Res. 1981 Apr;41(4):1572-3. [PubMed:6897929 ]
Abdel-Monem MM, Merdink JL, Theologides A: Urinary excretion of monoacetyl polyamines in patients with non-Hodgkin's lymphoma. Cancer Res. 1982 May;42(5):2097-8. [PubMed:7066912 ]
Mudumba S, Menezes A, Fries D, Blankenship J: Differentiation of PC12 cells induced by N8-acetylspermidine and by N8-acetylspermidine deacetylase inhibition. Biochem Pharmacol. 2002 Jun 1;63(11):2011-8. doi: 10.1016/s0006-2952(02)00991-7. [PubMed:12093478 ]
Inoue H, Fukunaga K, Munemura S, Tsuruta Y: Simultaneous determination of free and N-acetylated polyamines in urine by semimicro high-performance liquid chromatography using 4-(5,6-dimethoxy-2-phthalimidinyl)-2-methoxyphenylsulfonyl chloride as a fluorescent labeling reagent. Anal Biochem. 2005 Apr 15;339(2):191-7. doi: 10.1016/j.ab.2005.01.008. [PubMed:15797558 ]
Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]

Showing metabocard for N8-Acetylspermidine (MMDBc0030324)

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