MiMeDB: Showing metabocard for Spermine (MMDBc0000182)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:38:53 UTC

Update Date

2024-10-09 20:56:03 UTC

Metabolite ID

MMDBc0000182

Metabolite Identification

Common Name

Spermine

Description

Spermine is a biogenic polyamine formed from spermidine. It is found in a wide variety of organisms and tissues and is an essential growth factor in some bacteria. It has been identified as a uremic toxin according to the European Uremic Toxin Working Group (PMID: 22626821 ). Spermine is found as a polycation at all pH values. Spermine is associated with nucleic acids, particularly in viruses, and is thought to stabilize the helical structure.

Structure

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

HMDB0001256
     RDKit          3D
Spermine
 40 39  0  0  0  0  0  0  0  0999 V2000
    5.9451    0.8520    0.3288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900   -0.0105   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -0.7449    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -1.6107    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -0.7655   -0.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.0411    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399    0.9997   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    1.8923   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695    1.3441    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915    0.4168    1.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681    0.1930    1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8757   -0.5426   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3762   -0.7988    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7997   -1.5189   -1.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867    1.4245    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814    0.2866    0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155   -0.7932   -0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    0.6575   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841   -1.3489    1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -0.0456    1.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -2.1743    1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465   -2.3064   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574   -0.3354   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906   -0.5757    0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    0.6924    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    1.6135   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606    0.3921   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197    2.6142   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    2.6220    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810    2.1972    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062    0.8300   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -0.5601    0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8867    1.1709    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279   -0.3448    2.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -1.5562   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7267   -0.0206   -1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6348   -1.4293    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9315    0.1586    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2527   -0.9311   -1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9495   -1.9846   -1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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
 13 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
M  END

HMDB0001256
     RDKit          3D
Spermine
 40 39  0  0  0  0  0  0  0  0999 V2000
    5.9451    0.8520    0.3288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900   -0.0105   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -0.7449    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -1.6107    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -0.7655   -0.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.0411    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399    0.9997   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    1.8923   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695    1.3441    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915    0.4168    1.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681    0.1930    1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8757   -0.5426   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3762   -0.7988    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7997   -1.5189   -1.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867    1.4245    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814    0.2866    0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155   -0.7932   -0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    0.6575   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841   -1.3489    1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -0.0456    1.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -2.1743    1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465   -2.3064   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574   -0.3354   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906   -0.5757    0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    0.6924    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    1.6135   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606    0.3921   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197    2.6142   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    2.6220    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810    2.1972    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062    0.8300   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -0.5601    0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8867    1.1709    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279   -0.3448    2.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -1.5562   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7267   -0.0206   -1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6348   -1.4293    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9315    0.1586    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2527   -0.9311   -1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9495   -1.9846   -1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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
 13 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
M  END

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 127                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0       9.241   0.385   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0      15.909  -0.385   0.000  0.00  0.00           N+0
HETATM    3  N   UNK     0       3.907   0.385   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0      21.243  -0.385   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      11.908   0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.242  -0.385   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.575  -0.385   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      14.575   0.385   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.907  -0.385   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      17.243   0.385   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.574   0.385   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      18.576  -0.385   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.240  -0.385   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      19.909   0.385   0.000  0.00  0.00           C+0
CONECT    1    7    9                                                       
CONECT    2    8   10                                                       
CONECT    3   13                                                            
CONECT    4   14                                                            
CONECT    5    6    7                                                       
CONECT    6    5    8                                                       
CONECT    7    1    5                                                       
CONECT    8    2    6                                                       
CONECT    9    1   11                                                       
CONECT   10    2   12                                                       
CONECT   11    9   13                                                       
CONECT   12   10   14                                                       
CONECT   13    3   11                                                       
CONECT   14    4   12                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0001256
HETATM    1  N1  UNL     1       5.945   0.852   0.329  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.890  -0.010  -0.134  1.00  0.00           C  
HETATM    3  C2  UNL     1       4.178  -0.745   1.003  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.124  -1.611   0.272  1.00  0.00           C  
HETATM    5  N2  UNL     1       2.272  -0.766  -0.446  1.00  0.00           N  
HETATM    6  C4  UNL     1       1.324   0.041   0.259  1.00  0.00           C  
HETATM    7  C5  UNL     1       0.740   1.000  -0.728  1.00  0.00           C  
HETATM    8  C6  UNL     1      -0.347   1.892  -0.308  1.00  0.00           C  
HETATM    9  C7  UNL     1      -1.670   1.344   0.009  1.00  0.00           C  
HETATM   10  N3  UNL     1      -1.892   0.417   1.034  1.00  0.00           N  
HETATM   11  C8  UNL     1      -3.368   0.193   1.112  1.00  0.00           C  
HETATM   12  C9  UNL     1      -3.876  -0.543  -0.081  1.00  0.00           C  
HETATM   13  C10 UNL     1      -5.376  -0.799   0.026  1.00  0.00           C  
HETATM   14  N4  UNL     1      -5.800  -1.519  -1.162  1.00  0.00           N  
HETATM   15  H1  UNL     1       5.587   1.425   1.114  1.00  0.00           H  
HETATM   16  H2  UNL     1       6.781   0.287   0.567  1.00  0.00           H  
HETATM   17  H3  UNL     1       5.216  -0.793  -0.848  1.00  0.00           H  
HETATM   18  H4  UNL     1       4.147   0.657  -0.639  1.00  0.00           H  
HETATM   19  H5  UNL     1       4.884  -1.349   1.571  1.00  0.00           H  
HETATM   20  H6  UNL     1       3.697  -0.046   1.698  1.00  0.00           H  
HETATM   21  H7  UNL     1       2.550  -2.174   1.039  1.00  0.00           H  
HETATM   22  H8  UNL     1       3.647  -2.306  -0.413  1.00  0.00           H  
HETATM   23  H9  UNL     1       2.557  -0.335  -1.312  1.00  0.00           H  
HETATM   24  H10 UNL     1       0.591  -0.576   0.750  1.00  0.00           H  
HETATM   25  H11 UNL     1       1.890   0.692   1.002  1.00  0.00           H  
HETATM   26  H12 UNL     1       1.650   1.614  -1.082  1.00  0.00           H  
HETATM   27  H13 UNL     1       0.461   0.392  -1.653  1.00  0.00           H  
HETATM   28  H14 UNL     1      -0.520   2.614  -1.186  1.00  0.00           H  
HETATM   29  H15 UNL     1       0.020   2.622   0.487  1.00  0.00           H  
HETATM   30  H16 UNL     1      -2.381   2.197   0.179  1.00  0.00           H  
HETATM   31  H17 UNL     1      -2.006   0.830  -0.969  1.00  0.00           H  
HETATM   32  H18 UNL     1      -1.505  -0.560   0.809  1.00  0.00           H  
HETATM   33  H19 UNL     1      -3.887   1.171   1.157  1.00  0.00           H  
HETATM   34  H20 UNL     1      -3.628  -0.345   2.032  1.00  0.00           H  
HETATM   35  H21 UNL     1      -3.402  -1.556  -0.100  1.00  0.00           H  
HETATM   36  H22 UNL     1      -3.727  -0.021  -1.050  1.00  0.00           H  
HETATM   37  H23 UNL     1      -5.635  -1.429   0.899  1.00  0.00           H  
HETATM   38  H24 UNL     1      -5.932   0.159   0.127  1.00  0.00           H  
HETATM   39  H25 UNL     1      -6.253  -0.931  -1.875  1.00  0.00           H  
HETATM   40  H26 UNL     1      -4.949  -1.985  -1.573  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   17   18
CONECT    3    4   19   20
CONECT    4    5   21   22
CONECT    5    6   23
CONECT    6    7   24   25
CONECT    7    8   26   27
CONECT    8    9   28   29
CONECT    9   10   30   31
CONECT   10   11   32
CONECT   11   12   33   34
CONECT   12   13   35   36
CONECT   13   14   37   38
CONECT   14   39   40
END

HMDB0001256
     RDKit          3D
Spermine
 40 39  0  0  0  0  0  0  0  0999 V2000
    5.9451    0.8520    0.3288 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900   -0.0105   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1780   -0.7449    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1242   -1.6107    0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -0.7655   -0.4464 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3241    0.0411    0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399    0.9997   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466    1.8923   -0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6695    1.3441    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8915    0.4168    1.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681    0.1930    1.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8757   -0.5426   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3762   -0.7988    0.0255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7997   -1.5189   -1.1620 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5867    1.4245    1.1138 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7814    0.2866    0.5670 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2155   -0.7932   -0.8483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1473    0.6575   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8841   -1.3489    1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6974   -0.0456    1.6979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5499   -2.1743    1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6465   -2.3064   -0.4130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5574   -0.3354   -1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5906   -0.5757    0.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8899    0.6924    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6497    1.6135   -1.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4606    0.3921   -1.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5197    2.6142   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0198    2.6220    0.4868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3810    2.1972    0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062    0.8300   -0.9694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5051   -0.5601    0.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8867    1.1709    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6279   -0.3448    2.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015   -1.5562   -0.1001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7267   -0.0206   -1.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6348   -1.4293    0.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9315    0.1586    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2527   -0.9311   -1.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9495   -1.9846   -1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  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
 13 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  0
  6 24  1  0
  6 25  1  0
  7 26  1  0
  7 27  1  0
  8 28  1  0
  8 29  1  0
  9 30  1  0
  9 31  1  0
 10 32  1  0
 11 33  1  0
 11 34  1  0
 12 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 14 40  1  0
M  END

Synonyms

Value	Source
4,9-Diaza-1,12-dodecanediamine	ChEBI
4,9-Diazadodecane-1,12-diamine	ChEBI
N,N'-bis(3-aminopropyl)-1,4-butanediamine	ChEBI
1,5,10,14-Tetraazatetradecane	HMDB
4,9-Diazadodecamethylenediamine	HMDB
Diaminopropyl-tetramethylenediamine	HMDB
Diaminopropyltetramethylenediamine	HMDB
Gerontine	HMDB
Musculamine	HMDB
N,N'-bis(3-aminopropyl)-1,4-tetramethylenediamine	HMDB
N,N'-bis(3-aminopropyl)butane-1,4-diamine	HMDB
N1,N4-Bis(3-aminopropyl)-1,4-butanediamine	HMDB
Neuridine	HMDB
Spermin	HMDB
Spermine dihydrate	HMDB
Spermine puriss	HMDB
SPM	HMDB

Molecular Formula

C₁₀H₂₆N₄

Average Mass

202.3402

Monoisotopic Mass

202.215746852

IUPAC Name

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

Traditional Name

spermine

CAS Registry Number

71-44-3

SMILES

NCCCNCCCCNCCCN

InChI Identifier

InChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2

InChI Key

PFNFFQXMRSDOHW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Dialkylamines

Alternative Parents

Substituents

Secondary aliphatic amine
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

tetraamine (CHEBI:15746 )
polyazaalkane (CHEBI:15746 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	2.19 g/L	ALOGPS
logP	-0.66	ALOGPS
logP	-1.5	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Basic)	10.8	ChemAxon
Physiological Charge	4	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	76.1 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	62.56 m³·mol⁻¹	ChemAxon
Polarizability	26.69 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

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-014u-1900000000-e9620319823eaecceccc	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-00s6-3900000000-d7da5cd1c0be289412ee	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-00r6-1900000000-861e0541e2eb67219b93	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	splash10-00di-7900000000-9706a16d903df3f9e094	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	splash10-00di-5900000000-eb1574dc4aea2972932b	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (5 TMS)	splash10-00ei-8900000000-710d44c573ed398f7db9	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (5 TMS)	splash10-00s6-3900000000-cb82c1371fa767015cff	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (6 TMS)	splash10-00rf-1900000000-ca3a2df44acb740134cd	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (6 TMS)	splash10-00y0-1900000000-7ba8e67861945901b381	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-014u-1900000000-e9620319823eaecceccc	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00s6-3900000000-d7da5cd1c0be289412ee	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00r6-1900000000-861e0541e2eb67219b93	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-7900000000-9706a16d903df3f9e094	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-5900000000-eb1574dc4aea2972932b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00ei-8900000000-710d44c573ed398f7db9	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00s6-3900000000-cb82c1371fa767015cff	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00rf-1900000000-ca3a2df44acb740134cd	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00y0-1900000000-7ba8e67861945901b381	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-01bl-1900000000-5a4875c4cf337f0cff9c	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000i-7900000000-4e66988ec8e890a03e13	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00rf-2900000000-9d5a63fbbd1662e5dc43	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-01w1-4900000000-f7c07f1cee7101fc31d7	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-053r-9300000000-2ce22d19e72f10b80f34	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0w29-2940000000-a8b05c7cfaea58c5d82d	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-03di-1900000000-75ac3953e5378c465a62	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-001i-9000000000-e3b84db5723912be8a4f	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0udi-0930000000-4bb02118dea11e2101f8	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0006-9000000000-468357ae06dea8985d85	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-00b9-6900000000-cf244bbfdbb5b7889d7a	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-004i-0900000000-c5af077deeab934c36b7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0udi-0940000000-098121f449eb29dd74be	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0006-9000000000-167ef7503b0827eb212f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-03di-0900000000-feb04e188e675948f795	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-004i-0900000000-93e15f4592fe9bbeb367	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-0udi-0090000000-c22e98adb3dc62b1eb77	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive	splash10-01t9-0900000000-76aa5e4bf523c2027cba	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive	splash10-03di-4900000000-b762c20d8a09a78cf931	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive	splash10-001i-9300000000-0428cb6df2b593ded567	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive	splash10-001i-9000000000-c319f927047d78e2b69b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-004i-0900000000-b4f106f6fe26766fbf73	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-03di-0900000000-29d4a223bb44ded927b5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive	splash10-01q9-9500000000-d1b7e914e9ccee2d0f66	2012-08-31	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udr-2970000000-268b93360fb5eaa19e49	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a73-9810000000-ee919f22493191f56708	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4l-9200000000-f7cb18a7a6036554cb6b	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0090000000-ea2e2f233958fa61cd8b	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-3390000000-0ade7d389047531a84ee	2015-05-27	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-05fu-9200000000-e760ec8b3259e54992ce	2015-05-27	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-053u-9100000000-5a106273203d28e4a701	2014-09-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Brain
Cerebrospinal Fluid (CSF)
Epidermis
Erythrocyte
Feces
Fibroblasts
Intestine
Liver
Neuron
Pancreas
Platelet
Prostate
Saliva
Skeletal Muscle
Testis
Urine

Tissue Locations

Brain
Epidermis
Erythrocyte
Fibroblasts
Intestine
Liver
Neuron
Pancreas
Platelet
Prostate
Skeletal Muscle
Testis

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191691	Diamine acetyltransferase 2	Enzyme	Q96F10	Homo sapiens
MMDBp0191705	Diamine acetyltransferase 1	Enzyme	P21673	Homo sapiens
MMDBp0191852	Xanthine dehydrogenase/oxidase	Unknown	P47989	Homo sapiens
MMDBp0191872	Choline dehydrogenase, mitochondrial	Unknown	Q8NE62	Homo sapiens
MMDBp0191874	Dimethylglycine dehydrogenase, mitochondrial	Unknown	Q9UI17	Homo sapiens
MMDBp0191887	Spermine synthase	Enzyme	P52788	Homo sapiens
MMDBp0191888	Spermidine synthase	Enzyme	P19623	Homo sapiens
MMDBp0191961	4-trimethylaminobutyraldehyde dehydrogenase	Unknown	P49189	Homo sapiens
MMDBp0192049	Gamma-butyrobetaine dioxygenase	Unknown	O75936	Homo sapiens
MMDBp0192057	Amiloride-sensitive amine oxidase [copper-containing]	Unknown	P19801	Homo sapiens
MMDBp0192064	S-methyl-5'-thioadenosine phosphorylase	Enzyme	Q13126	Homo sapiens
MMDBp0192086	S-adenosylmethionine decarboxylase proenzyme	Unknown	P17707	Homo sapiens
MMDBp0192122	Glycine amidinotransferase, mitochondrial	Enzyme	P50440	Homo sapiens
MMDBp0192205	Betaine--homocysteine S-methyltransferase 1	Unknown	Q93088	Homo sapiens
MMDBp0192413	Sarcosine dehydrogenase, mitochondrial	Unknown	Q9UL12	Homo sapiens
MMDBp0192503	Histidine decarboxylase	Enzyme	P19113	Homo sapiens
MMDBp0192645	Ornithine decarboxylase	Enzyme	P11926	Homo sapiens
MMDBp0193543	Solute carrier family 22 member 4	Transporter	Q9H015	Homo sapiens
MMDBp0193588	Solute carrier family 22 member 1	Transporter	O15245	Homo sapiens
MMDBp0193618	Spermine oxidase	Unknown	Q9NWM0	Homo sapiens
MMDBp0193643	Agmatinase, mitochondrial	Unknown	Q9BSE5	Homo sapiens
MMDBp0193925	Trimethyllysine dioxygenase, mitochondrial	Unknown	Q9NVH6	Homo sapiens
MMDBp0193964	S-methylmethionine--homocysteine S-methyltransferase BHMT2	Unknown	Q9H2M3	Homo sapiens
MMDBp0195554	Pyruvate dehydrogenase phosphatase regulatory subunit, mitochondrial	Unknown	Q8NCN5	Homo sapiens
MMDBp0196292	Ornithine decarboxylase antizyme 1	Enzyme	P54368	Homo sapiens
MMDBp0196552	Polyamine-modulated factor 1	Unknown	Q6P1K2	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0002161	S-Adenosylmethioninamine	5'-Methylthioadenosine	Not Available	VMH; KEGG	30371894
MMDBr0003871	Spermine	Spermine Monoaldehyde	amine oxidase, copper containing 3	VMH	10047787 7040832
MMDBr0003872	Spermine	Spermine Monoaldehyde	amine oxidase, copper containing 1	VMH	10047787 7040832
MMDBr0003873	Spermine	Spermine Monoaldehyde	amine oxidase, copper containing 1	VMH	10047787 7040832
MMDBr0003969	Spermine	N1-Acetylspermine	Not Available	VMH	10978316
MMDBr0010271	Spermine	3-Aminopropionaldehyde	Not Available	VMH	30371894
MMDBr0010445	N1-Acetylspermine	Spermine	spermidine/spermine N1-acetyltransferase 1	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Leukemia	Increased	Association	Human Urine	HMDB	9464484
Uremia	Decreased	Association	Human Blood	HMDB	22626821
Uremia		Association	Human Blood	HMDB	12675874

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Firmicutes	3	Human feces	Microbial culture
Bacteria	Proteobacteria	7	Human ; Human feces	Microbial culture
Bacteria	Actinobacteria	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria	Deinococcus-thermus	1
Eukaryota/Fungi	Ascomycota	2	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Rhodophyta	FooDB	31437929
Animal		Myoxocephalus	FooDB	31437929
Animal		Eucheuma	FooDB	31437929
Animal		Saccharina japonica	FooDB	31437929
Animal		Spirulina	FooDB	31437929
Animal		Lota lota	FooDB	31437929
Animal		Porphyra umbilicalis	FooDB	31437929
Animal	Milk	Bos taurus	FooDB	31437929
Animal		Chondrus crispus	FooDB	31437929
Animal	Milk	Bos taurus	FooDB	31437929
Animal		Laminaria	FooDB	31437929
Animal		Haliotis	FooDB	31437929
Animal		Strombidae	FooDB	31437929
Animal		Clupea harengus harengus	FooDB	31437929
Animal		Undaria pinnatifida	FooDB	31437929
Animal		Peprilus triacanthus	FooDB	31437929
Food			FooDB	31437929
Food			FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Citrus sinensis	FooDB	31437929
Plant		Musa acuminata	FooDB	31437929
Plant		Carissa macrocarpa	FooDB	31437929
Plant		Lagenaria siceraria	FooDB	31437929
Plant		Sorbus aucuparia	FooDB	31437929
Plant		Satureja hortensis	FooDB	31437929
Plant		Vigna unguiculata ssp. unguiculata	FooDB	31437929
Plant		Linum usitatissimum	FooDB	31437929
Plant		Brassica oleracea var. costata	FooDB	31437929
Plant		Phyllostachys edulis	FooDB	31437929
Plant		Panax	FooDB	31437929
Plant		Carum carvi	FooDB	31437929
Plant		Citrullus lanatus	FooDB	31437929
Plant		Averrhoa carambola	FooDB	31437929
Plant		Prunus domestica	FooDB	31437929
Plant		Allium schoenoprasum	FooDB	31437929
Plant		Prunus armeniaca	FooDB	31437929
Plant		Nelumbo nucifera	FooDB	31437929
Plant		Lablab purpureus	FooDB	31437929
Plant		Citrus reticulata	FooDB	31437929
Plant		Vigna umbellata	FooDB	31437929
Plant		Cymbopogon citratus	FooDB	31437929
Plant		Rubus occidentalis	FooDB	31437929
Plant		Bertholletia excelsa	FooDB	31437929
Plant		Ceratonia siliqua	FooDB	31437929
Plant		Allium fistulosum	FooDB	31437929
Plant		Capsicum	FooDB	31437929
Plant		Luffa aegyptiaca	FooDB	31437929
Plant		Brassica rapa var. rapa	FooDB	31437929
Plant		Lupinus	FooDB	31437929
Plant		Tilia cordata	FooDB	31437929
Plant		Anethum graveolens	FooDB	31437929
Plant		Coriandrum sativum	FooDB	31437929
Plant		Vaccinium alaskaense	FooDB	31437929
Plant		Durio zibethinus	FooDB	31437929
Plant		Carthamus tinctorius	FooDB	31437929
Plant		Ribes glandulosum	FooDB	31437929
Plant		Cicer arietinum	FooDB	31437929
Plant		Prunus persica var. nucipersica	FooDB	31437929
Plant		Verbena officinalis	FooDB	31437929
Plant		Anacardium occidentale	FooDB	31437929
Plant		Vaccinium oxycoccos	FooDB	31437929
Plant		Oenothera biennis	FooDB	31437929
Plant		Brassica napus var. pabularia	FooDB	31437929
Plant		Eriobotrya japonica	FooDB	31437929
Plant		Diospyros kaki	FooDB	31437929
Plant		Aloysia triphylla	FooDB	31437929
Plant		Vaccinium parvifolium	FooDB	31437929
Plant		Virola surinamensis	FooDB	31437929
Plant		Capsicum chinense	FooDB	31437929
Plant		Rumex acetosa	FooDB	31437929
Plant		Pyrus pyrifolia	FooDB	31437929
Plant		Vaccinium reticulatum	FooDB	31437929
Plant		Theobroma cacao	FooDB	31437929
Plant		Solanum quitoense	FooDB	31437929
Plant		Brassica oleracea var. capitata	FooDB	31437929
Plant		Theobroma grandiflorum	FooDB	31437929
Plant		Vigna unguiculata ssp. cylindrica	FooDB	31437929
Plant		Satureja montana	FooDB	31437929
Plant		Solanum lycopersicum var. lycopersicum	FooDB	31437929
Plant	Leaves	Pisum sativum	FooDB	31437929
Plant		Vaccinium arboreum	FooDB	31437929
Plant		Perideridia oregana	FooDB	31437929
Plant		Ginkgo biloba	FooDB	31437929
Plant		Camellia sinensis	FooDB	31437929
Plant			FooDB	31437929
Plant		Vaccinium myrtillus	FooDB	31437929
Plant		Wasabia japonica	FooDB	31437929
Plant		Origanum onites	FooDB	31437929
Plant		Flammulina velutipes	FooDB	31437929
Plant		Vigna radiata	FooDB	31437929
Plant		Syzygium aromaticum	FooDB	31437929
Plant		Citrus japonica	FooDB	31437929
Plant		Arachis hypogaea	FooDB	31437929
Plant		Pouteria sapota	FooDB	31437929
Plant		Daucus carota ssp. sativus	FooDB	31437929
Plant		Prunus avium	FooDB	31437929
Plant		Viburnum edule	FooDB	31437929
Plant		Vaccinium uliginosum	FooDB	31437929
Plant		Piper nigrum	FooDB	31437929
Plant	Seed	Glycine max	FooDB	31437929
Plant		Dioscorea	FooDB	31437929
Plant		Origanum vulgare	FooDB	31437929
Plant		Raphanus sativus var. sativus	FooDB	31437929
Plant		Momordica charantia	FooDB	31437929
Plant		Rubus ursinus x idaeus	FooDB	31437929
Plant		Vitis vinifera	FooDB	31437929
Plant		Prunus persica var. persica	FooDB	31437929
Plant		Castanea	FooDB	31437929
Plant		Capsicum annuum	FooDB	31437929
Plant		Cirsium	FooDB	31437929
Plant		Opuntia	FooDB	31437929
Plant		Pleurotus ostreatus	FooDB	31437929
Plant		Colocasia esculenta	FooDB	31437929
Plant		Anthriscus cerefolium	FooDB	31437929
Plant		Raphanus sativus var. niger	FooDB	31437929
Plant		Dysphania ambrosioides	FooDB	31437929
Plant		Nuphar lutea	FooDB	31437929
Plant		Photinia melanocarpa	FooDB	31437929
Plant		Pachyrhizus erosus	FooDB	31437929
Plant		Lupinus albus	FooDB	31437929
Plant	Seed	Vigna angularis	FooDB	31437929
Plant		Solanum melongena	FooDB	31437929
Plant		Cichorium endivia	FooDB	31437929
Plant		Myristica fragrans	FooDB	31437929
Plant		Elaeis	FooDB	31437929
Plant		Cinnamomum	FooDB	31437929
Plant		Brassica oleracea var. italica	FooDB	31437929
Plant		Feijoa sellowiana	FooDB	31437929
Plant		Ribes uva-crispa	FooDB	31437929
Plant		Syzygium jambos	FooDB	31437929
Plant		Salix pulchra	FooDB	31437929
Plant		Crocus sativus	FooDB	31437929
Plant		Vaccinium	FooDB	31437929
Plant		Fagus	FooDB	31437929
Plant		Citrus maxima	FooDB	31437929
Plant		Rheum rhabarbarum	FooDB	31437929
Plant		Vaccinium ovatum	FooDB	31437929
Plant		Thymus pulegioides	FooDB	31437929
Plant		Castanea sativa	FooDB	31437929
Plant		Cydonia oblonga	FooDB	31437929
Plant		Apium graveolens	FooDB	31437929
Plant		Mespilus germanica	FooDB	31437929
Plant		Opuntia cochenillifera	FooDB	31437929
Plant		Salvia officinalis	FooDB	31437929
Plant		Brassica rapa var. perviridis	FooDB	31437929
Plant		Annona muricata	FooDB	31437929
Plant		Cucurbita	FooDB	31437929
Plant		Salvia elegans	FooDB	31437929
Plant		Mentha	FooDB	31437929
Plant		Mentha aquatica	FooDB	31437929
Plant		Cocos nucifera	FooDB	31437929
Plant		Tamarindus indica	FooDB	31437929
Plant		Sagittaria latifolia	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Syzygium cumini	FooDB	31437929
Plant		Empetrum nigrum	FooDB	31437929
Plant		Sambucus	FooDB	31437929
Plant		Typha angustifolia	FooDB	31437929
Plant		Myrica rubra	FooDB	31437929
Plant		Tilia tomentosa	FooDB	31437929
Plant		Vigna unguiculata	FooDB	31437929
Plant		Valerianella locusta	FooDB	31437929
Plant		Pinus	FooDB	31437929
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	31437929
Plant		Olea europaea	FooDB	31437929
Plant		Sisymbrium	FooDB	31437929
Plant		Raphanus sativus var. longipinnatus	FooDB	31437929
Plant		Psidium guajava	FooDB	31437929
Plant		Vigna mungo	FooDB	31437929
Plant		Vanilla	FooDB	31437929
Plant		Carya	FooDB	31437929
Plant		Vaccinium vitis-idaea	FooDB	31437929
Plant		Borago officinalis	FooDB	31437929
Plant		Angelica keiskei	FooDB	31437929
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	31437929
Plant		Physalis philadelphica var. immaculata	FooDB	31437929
Plant		Hyssopus officinalis	FooDB	31437929
Plant		Scorzonera hispanica	FooDB	31437929
Plant		Daucus carota	FooDB	31437929
Plant		Solanum tuberosum	FooDB	31437929
Plant		Manihot esculenta	FooDB	31437929
Plant		Ipomoea aquatica	FooDB	31437929
Plant		Rubus spectabilis	FooDB	31437929
Plant		Beta vulgaris ssp. cicla	FooDB	31437929
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	31437929
Plant		Prunus dulcis	FooDB	31437929
Plant		Cuminum cyminum	FooDB	31437929
Plant		Allium sativum	FooDB	31437929
Plant		Cantharellus cibarius	FooDB	31437929
Plant		Musa x paradisiaca	FooDB	31437929
Plant		Sinapis alba	FooDB	31437929
Plant		Brassica ruvo	FooDB	31437929
Plant		Fragaria x ananassa	FooDB	31437929
Plant		Morus nigra	FooDB	31437929
Plant		Pinus edulis	FooDB	31437929
Plant		Apium graveolens var. secalinum	FooDB	31437929
Plant		Opuntia macrorhiza	FooDB	31437929
Plant		Rubus idaeus	FooDB	31437929
Plant		Pyrus communis	FooDB	31437929
Plant		Manilkara zapota	FooDB	31437929
Plant		Allium cepa	FooDB	31437929
Plant		Passiflora edulis	FooDB	31437929
Plant		Abelmoschus esculentus	FooDB	31437929
Plant		Moringa oleifera	FooDB	31437929
Plant		Solanum lycopersicum	FooDB	31437929
Plant		Malus	FooDB	31437929
Plant		Cucurbita pepo var. clypeata	FooDB	31437929
Plant		Corylus	FooDB	31437929
Plant		Juglans	FooDB	31437929
Plant		Illicium verum	FooDB	31437929
Plant			FooDB	31437929
Plant		Auricularia auricula-judae	FooDB	31437929
Plant		Mangifera indica	FooDB	31437929
Plant		Sambucus nigra	FooDB	31437929
Plant		Juglans ailanthifolia	FooDB	31437929
Plant		Chamaemelum nobile	FooDB	31437929
Plant		Mentha spicata	FooDB	31437929
Plant		Helianthus annuus	FooDB	31437929
Plant		Attalea speciosa	FooDB	31437929
Plant		Hippophae rhamnoides	FooDB	31437929
Plant		Polygonum alpinum	FooDB	31437929
Plant		Melissa officinalis	FooDB	31437929
Plant		Laurus nobilis	FooDB	31437929
Plant		Pediomelum esculentum	FooDB	31437929
Plant		Ribes nigrum	FooDB	31437929
Plant		Zingiber officinale	FooDB	31437929
Plant		Auricularia polytricha	FooDB	31437929
Plant		Petroselinum crispum	FooDB	31437929
Plant		Brassica juncea	FooDB	31437929
Plant		Camellia oleifera	FooDB	31437929
Plant		Chrysanthemum coronarium	FooDB	31437929
Plant		Eleocharis dulcis	FooDB	31437929
Plant		Rubus arcticus	FooDB	31437929
Plant		Vaccinium corymbosum	FooDB	31437929
Plant		Actinidia chinensis	FooDB	31437929
Plant		Lathyrus sativus	FooDB	31437929
Plant		Thymus vulgaris	FooDB	31437929
Plant		Rumex articus	FooDB	31437929
Plant		Pimenta dioica	FooDB	31437929
Plant		Psophocarpus tetragonolobus	FooDB	31437929
Plant		Spinacia oleracea	FooDB	31437929
Plant		Ribes aureum var. villosum	FooDB	31437929
Plant		Medicago sativa	FooDB	31437929
Plant		Canarium ovatum	FooDB	31437929
Plant		Agaricus bisporus	FooDB	31437929
Plant		Carica papaya	FooDB	31437929
Plant		Cajanus cajan	FooDB	31437929
Plant		Benincasa hispida	FooDB	31437929
Plant		Hibiscus sabdariffa	FooDB	31437929
Plant		Origanum majorana	FooDB	31437929
Plant		Armoracia rusticana	FooDB	31437929
Plant		Eruca vesicaria ssp. sativa	FooDB	31437929
Plant		Cucurbita pepo var. cylindrica	FooDB	31437929
Plant		Juglans cinerea	FooDB	31437929
Plant		Metroxylon sagu	FooDB	31437929
Plant		Vitis rotundifolia	FooDB	31437929
Plant		Prunus persica	FooDB	31437929
Plant		Arctium lappa	FooDB	31437929
Plant		Brassica oleracea var. gongylodes	FooDB	31437929
Plant		Brassica oleracea var. gemmifera	FooDB	31437929
Plant		Foeniculum vulgare	FooDB	31437929
Plant		Artocarpus altilis	FooDB	31437929
Plant		Psidium cattleianum	FooDB	31437929
Plant		Cyathea	FooDB	31437929
Plant		Vaccinium macrocarpon	FooDB	31437929
Plant		Phoenix dactylifera	FooDB	31437929
Plant		Brosimum alicastrum	FooDB	31437929
Plant		Castanea mollissima	FooDB	31437929
Plant		Cynara scolymus	FooDB	31437929
Plant		Morus	FooDB	31437929
Plant		Vitis labrusca	FooDB	31437929
Plant		Lentinus edodes	FooDB	31437929
Plant		Citrus x paradisi	FooDB	31437929
Plant		Rosmarinus officinalis	FooDB	31437929
Plant		Prunus cerasus	FooDB	31437929
Plant		Myrica	FooDB	31437929
Plant		Lepidium sativum	FooDB	31437929
Plant		Cucumis metuliferus	FooDB	31437929
Plant		Phytolacca americana	FooDB	31437929
Plant		Nephelium lappaceum	FooDB	31437929
Plant		Artemisia vulgaris	FooDB	31437929
Plant		Tetragonia tetragonioides	FooDB	31437929
Plant		Helianthus tuberosus	FooDB	31437929
Plant		Grifola frondosa	FooDB	31437929
Plant		Castanea crenata	FooDB	31437929
Plant		Ficus carica	FooDB	31437929
Plant			FooDB	31437929
Plant		Vaccinium angustifolium	FooDB	31437929
Plant		Quercus	FooDB	31437929
Plant		Beta vulgaris var. rubra	FooDB	31437929
Plant		Corylus avellana	FooDB	31437929
Plant		Litchi chinensis	FooDB	31437929
Plant		Thelesperma	FooDB	31437929
Plant		Malpighia emarginata	FooDB	31437929
Plant		Physalis	FooDB	31437929
Plant		Juglans regia	FooDB	31437929
Plant		Vaccinium elliottii	FooDB	31437929
Plant		Chamerion angustifolium	FooDB	31437929
Plant	Bud	Malus pumila	FooDB	31437929
Plant		Trigonella foenum-graecum	FooDB	31437929
Plant		Levisticum officinale	FooDB	31437929
Plant		Brassica oleracea var. sabauda	FooDB	31437929
Plant		Ziziphus zizyphus	FooDB	31437929
Plant		Brassica napus	FooDB	31437929
Plant		Dimocarpus longan	FooDB	31437929
Plant		Asparagus officinalis	FooDB	31437929
Plant		Pangium edule	FooDB	31437929
Plant		Cynara cardunculus	FooDB	31437929
Plant		Matricaria recutita	FooDB	31437929
Plant		Salvia hispanica	FooDB	31437929
Plant		Artemisia dracunculus	FooDB	31437929
Plant		Citrus aurantiifolia	FooDB	31437929
Plant		Hedysarum alpinum	FooDB	31437929
Plant		Pimpinella anisum	FooDB	31437929
Plant		Brassica oleracea var. viridis	FooDB	31437929
Plant			FooDB	31437929
Plant		Agave	FooDB	31437929
Plant		Vigna aconitifolia	FooDB	31437929
Plant		Vitellaria paradoxa	FooDB	31437929
Plant		Allium	FooDB	31437929
Plant		Lactuca sativa	FooDB	31437929
Plant		Eragrostis tef	FooDB	31437929
Plant		Diospyros	FooDB	31437929
Plant		Apium graveolens var. dulce	FooDB	31437929
Plant		Mammea americana	FooDB	31437929
Plant		Pistacia vera	FooDB	31437929
Plant		Amaranthus	FooDB	31437929
Plant		Annona squamosa	FooDB	31437929
Plant		Brassica alboglabra	FooDB	31437929
Plant		Beta vulgaris	FooDB	31437929
Plant		Capsicum baccatum var. baccatum	FooDB	31437929
Plant		Basella alba	FooDB	31437929
Plant		Gossypium	FooDB	31437929
Plant		Punica granatum	FooDB	31437929
Plant		Xanthosoma sagittifolium	FooDB	31437929
Plant		Phaseolus lunatus	FooDB	31437929
Plant		Phaseolus vulgaris	FooDB	31437929
Plant		Lens culinaris	FooDB	31437929
Plant		Vitis	FooDB	31437929
Plant		Capsicum pubescens	FooDB	31437929
Plant		Citrus latifolia	FooDB	31437929
Plant		Crateva religiosa	FooDB	31437929
Plant		Byrsonima crassifolia	FooDB	31437929
Plant		Vitis aestivalis	FooDB	31437929
Plant		Eugenia javanica	FooDB	31437929
Plant		Mentha arvensis	FooDB	31437929
Plant		Carya illinoinensis	FooDB	31437929
Plant		Vaccinium stamineum	FooDB	31437929
Plant			FooDB	31437929
Plant		Cucumis sativus	FooDB	31437929
Plant		Brassica rapa var. chinensis	FooDB	31437929
Plant		Grataegosorbus mitschurinii	FooDB	31437929
Plant		Portulaca oleracea	FooDB	31437929
Plant		Solanum lycopersicum var. cerasiforme	FooDB	31437929
Plant		Cinnamomum aromaticum	FooDB	31437929
Plant			FooDB	31437929
Plant		Ribes rubrum	FooDB	31437929
Plant		Ipomoea batatas	FooDB	31437929
Plant		Allium ampeloprasum	FooDB	31437929
Plant		Chenopodium album	FooDB	31437929
Plant		Diospyros virginiana	FooDB	31437929
Plant		Cucurbita maxima	FooDB	31437929
Plant		Origanum x majoricum	FooDB	31437929
Plant		Pastinaca sativa	FooDB	31437929
Plant		Sechium edule	FooDB	31437929
Plant		Brassica oleracea	FooDB	31437929
Plant		Rumex	FooDB	31437929
Plant		Tragopogon porrifolius	FooDB	31437929
Plant		Lactuca sativa l. var. longifolia	FooDB	31437929
Plant		Rubus chamaemorus	FooDB	31437929
Plant		Rubus x loganobaccus	FooDB	31437929
Plant		Allium ascalonicum	FooDB	31437929
Plant	Leaves	Raphanus sativus	FooDB	31437929
Plant		Eugenia uniflora	FooDB	31437929
Plant		Citrullus lanatus var. fistulosus	FooDB	31437929
Plant		Amelanchier alnifolia	FooDB	31437929
Plant		Annona reticulata	FooDB	31437929
Plant		Sesbania bispinosa	FooDB	31437929
Plant		Ribes x nidigrolaria	FooDB	31437929
Plant		Curcuma longa	FooDB	31437929
Plant		Taraxacum officinale	FooDB	31437929
Plant		Elettaria cardamomum	FooDB	31437929
Plant		Garcinia mangostana	FooDB	31437929
Plant		Allium tuberosum	FooDB	31437929
Plant		Dioscorea pentaphylla	FooDB	31437929
Plant		Persea americana	FooDB	31437929
Plant		Corchorus olitorius	FooDB	31437929
Plant		Brassica oleracea var. botrytis	FooDB	31437929
Plant		Gaylussacia baccata	FooDB	31437929
Plant		Cichorium intybus	FooDB	31437929
Plant		Vicia faba	FooDB	31437929
Plant		Petasites japonicus	FooDB	31437929
Plant		Ananas comosus	FooDB	31437929
Plant		Chenopodium quinoa	FooDB	31437929
Plant	Seed	Coffea arabica	FooDB	31437929
Plant		Cucumis melo	FooDB	31437929
Plant		Prunus tomentosa	FooDB	31437929
Plant		Maranta arundinacea	FooDB	31437929
Plant		Juglans nigra	FooDB	31437929
Plant		Matteuccia struthiopteris	FooDB	31437929
Plant		Vaccinium myrtilloides	FooDB	31437929
Plant		Mentha x piperita	FooDB	31437929
Plant		Tilia	FooDB	31437929
Plant		Cinnamomum verum	FooDB	31437929
Plant		Cucurbita moschata	FooDB	31437929
Plant		Nelumbo	FooDB	31437929
Plant		Brassica oleracea var. conica	FooDB	31437929
Plant		Macadamia	FooDB	31437929
Plant		Rosa	FooDB	31437929
Plant		Apium graveolens var. rapaceum	FooDB	31437929
Plant		Papaver	FooDB	31437929
Plant		Lippia graveolens	FooDB	31437929
Plant		Ocimum basilicum	FooDB	31437929
Plant		Capsicum annuum var. annuum	FooDB	31437929
Plant		Citrus limon	FooDB	31437929
Plant		Brassica rapa var. pekinensis	FooDB	31437929
Plant		Annona cherimola	FooDB	31437929
Plant		Brassica rapa	FooDB	31437929
Plant		Prunus	FooDB	31437929
Plant		Vaccinium deliciosum	FooDB	31437929
Plant		Sesamum orientale	FooDB	31437929
Plant		Capparis spinosa	FooDB	31437929
Plant		Phaseolus coccineus	FooDB	31437929
Plant		Artocarpus heterophyllus	FooDB	31437929
Plant		Prunus virginiana	FooDB	31437929
Plant		Macadamia tetraphylla	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Urine	Detected and Quantified	0.463	0.214			umol/mmol creatinine	Adult (>18 years old)	Both	Leukemia	HMDB	9464484
Human Blood	Detected and Quantified	0.0092	0.0076			uM	Adult (>18 years old)	Both	uremia	HMDB	22626821
Human Blood	Detected and Quantified	0.0901	0.0802			uM	Adult (>18 years old)	Both	Uremia	HMDB	12675874
Human Urine	Detected and Quantified	0.019				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	19309105
Human Saliva	Detected and Quantified	0.04				uM	Adult (>18 years old)	Both	Normal	HMDB	11419735
Human Urine	Detected and Quantified			0.01	0.62	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Blood	Detected and Quantified	0.03	0.04			uM	Adult (>18 years old)	Both	Normal	HMDB	22626821
Human Urine	Detected and Quantified	0.03		0.01	0.28	umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	0.058	0.026			umol/mmol creatinine	Adult (>18 years old)	Both		HMDB	9464484
Human Urine	Detected and Quantified	0.06		0.01	0.72	umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Urine	Detected and Quantified	0.08		0.01	0.28	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	3757213
Human Blood	Detected and Quantified	0.09		0.06	0.14	uM	Children (1-13 uears old)	Both	Normal	HMDB	27294788
Human Cerebrospinal fluid (csf)	Detected and Quantified	0.14	0.01			uM	Adult (>18 years old)	Both	Normal	HMDB	15745737
Human Blood	Detected and Quantified			0.15	0.50	uM	Adult (>18 years old)	Both	Normal	HMDB	6588257
Human Urine	Detected and Quantified	0.13	0.065			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	9.97	3.26			uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Saliva	Detected and Quantified	0.00733	0.0381			uM	Adult (>18 years old)	Male	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.0665	0.0665			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.0962	0.262			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.242	0.565			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	0.63	0.67			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Erythrocyte	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Intestine	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Platelet	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Skeletal muscle	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	9464484
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	22727327
Human Feces	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	20669995
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0001256

DrugBank ID

DB00127

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

15746

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Proctor MS, Fletcher HV Jr, Shukla JB, Rennert OM: Elevated spermidine and spermine levels in the blood of psoriasis patients. J Invest Dermatol. 1975 Oct;65(4):409-11. doi: 10.1111/1523-1747.ep12607659. [PubMed:1176793 ]
Loser C, Folsch UR, Paprotny C, Creutzfeldt W: Polyamines in colorectal cancer. Evaluation of polyamine concentrations in the colon tissue, serum, and urine of 50 patients with colorectal cancer. Cancer. 1990 Feb 15;65(4):958-66. doi: 10.1002/1097-0142(19900215)65:4<958::aid-cncr2820650423>3.0.co;2-z. [PubMed:2297664 ]
Swift TA, Dias JA: Effects of the polyamine spermine on binding of follicle-stimulating hormone to membrane-bound immature bovine testis receptors. Biochim Biophys Acta. 1986 Feb 21;885(2):221-30. doi: 10.1016/0167-4889(86)90092-3. [PubMed:3004602 ]
El Baze P, Milano G, Verrando P, Renee N, Ortonne JP: Polyamine levels in normal human skin. A comparative study of pure epidermis, pure dermis, and suction blister fluid. Arch Dermatol Res. 1983;275(4):218-21. doi: 10.1007/BF00416663. [PubMed:6625645 ]
Jensen PK, Therkelsen AJ: Selective inhibition of fibroblasts by spermine in primary cultures of normal human skin epithelial cells. In Vitro. 1982 Oct;18(10):867-71. doi: 10.1007/BF02796328. [PubMed:7173947 ]
Uehara N, Shirakawa S, Uchino H, Saeki Y: Elevated contents of spermidine and spermine in the erythrocytes of cancer patients. Cancer. 1980 Jan 1;45(1):108-11. doi: 10.1002/1097-0142(19800101)45:1<108::aid-cncr2820450120>3.0.co;2-w. [PubMed:7350997 ]
Mollica F, Li Volti S, Rapisarda A, Longo G, Pavone L, Vanella A: Increased erythrocytic spermine in Duchenne muscular dystrophy. Pediatr Res. 1980 Nov;14(11):1196-8. doi: 10.1203/00006450-198011000-00009. [PubMed:7454431 ]
Cipolla BG, Ziade J, Bansard JY, Moulinoux JP, Staerman F, Quemener V, Lobel B, Guille F: Pretherapeutic erythrocyte polyamine spermine levels discriminate high risk relapsing patients with M1 prostate carcinoma. Cancer. 1996 Sep 1;78(5):1055-65. doi: 10.1002/(SICI)1097-0142(19960901)78:5<1055::AID-CNCR16>3.0.CO;2-1. [PubMed:8780544 ]
Lorenz B, Francis F, Gempel K, Boddrich A, Josten M, Schmahl W, Schmidt J, Lehrach H, Meitinger T, Strom TM: Spermine deficiency in Gy mice caused by deletion of the spermine synthase gene. Hum Mol Genet. 1998 Mar;7(3):541-7. doi: 10.1093/hmg/7.3.541. [PubMed:9467015 ]
Venza M, Visalli M, Cicciu D, Teti D: Determination of polyamines in human saliva by high-performance liquid chromatography with fluorescence detection. J Chromatogr B Biomed Sci Appl. 2001 Jun 5;757(1):111-7. doi: 10.1016/s0378-4347(01)00130-x. [PubMed:11419735 ]
Hosseinkhani H, Azzam T, Tabata Y, Domb AJ: Dextran-spermine polycation: an efficient nonviral vector for in vitro and in vivo gene transfection. Gene Ther. 2004 Jan;11(2):194-203. doi: 10.1038/sj.gt.3302159. [PubMed:14712304 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Duranton F, Cohen G, De Smet R, Rodriguez M, Jankowski J, Vanholder R, Argiles A: Normal and pathologic concentrations of uremic toxins. J Am Soc Nephrol. 2012 Jul;23(7):1258-70. doi: 10.1681/ASN.2011121175. Epub 2012 May 24. [PubMed:22626821 ]

Showing metabocard for Spermine (MMDBc0000182)

MOL for #<Metabolite:0x0000559d0501f9a8>

3D MOL for #<Metabolite:0x0000559d0501f9a8>

3D SDF for #<Metabolite:0x0000559d0501f9a8>

3D-SDF for #<Metabolite:0x0000559d0501f9a8>

PDB for #<Metabolite:0x0000559d0501f9a8>

3D PDB for #<Metabolite:0x0000559d0501f9a8>

SMILES for #<Metabolite:0x0000559d0501f9a8>

INCHI for #<Metabolite:0x0000559d0501f9a8>

Structure for #<Metabolite:0x0000559d0501f9a8>

3D Structure for #<Metabolite:0x0000559d0501f9a8>