Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (24)transporters (2) Show 26 proteins XML

enzymes (24)transporters (2) Show 26 proteins

Show more...Show more...Show more...Show more...Show more...Show more...

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2023-02-21 17:15:33 UTC

HMDB ID

HMDB0001256

Secondary Accession Numbers

HMDB01256

Metabolite Identification

Common Name

Spermine

Description

Spermine, also known as gerontine or musculamine, 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. The resultin N-carbamoylputrescine is acted on by a hydrolase to split off urea group, leaving putrescine. The precursor for synthesis of spermine is the amino acid ornithine. The intermediate is spermidine. Spermine is a drug. Spermine exists in all living species, ranging from bacteria to humans. 5'-methylthioadenosine and spermine can be biosynthesized from S-adenosylmethioninamine and spermidine through its interaction with the enzyme spermine synthase. Another pathway in plants starts with decarboxylation of L-arginine to produce agmatine. In humans, spermine is involved in spermidine and spermine biosynthesis. Outside of the human body, spermine is found, on average, in the highest concentration in oats. Spermine has also been detected, but not quantified in several different foods, such as sapodilla, mexican groundcherries, cloves, sourdocks, and sunflowers. This could make spermine a potential biomarker for the consumption of these foods. This decarboxylation gives putrescine. The name spermin was first used by the German chemists Ladenburg and Abel in 1888, and the correct structure of spermine was not finally established until 1926, simultaneously in England (by Dudley, Rosenheim, and Starling) and Germany (by Wrede et al.). In one pathway L-glutamine is the precursor to L-ornithine, after which the synthesis of spermine from L-ornithine follows the same pathway as in animals. Spermine is a potentially toxic compound.

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

View in JSmol View NMR Assignments View Stereo Labels

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

Chemical Formula

C₁₀H₂₆N₄

Average Molecular Weight

202.3402

Monoisotopic Molecular Weight

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 )

Ontology

Not Available

Exogenous (HMDB: HMDB0000830)

Food

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Soy

Soy bean (FooDB: FOOD00085)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	29 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	MetCCS_train_pos	148.245	30932474
[M+H]+	Not Available	148.5	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000536

Predicted Molecular 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

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	148.572	31661259
DarkChem	[M-H]-	145.19	31661259
AllCCS	[M+H]+	145.351	32859911
AllCCS	[M-H]-	153.204	32859911
DeepCCS	[M+H]+	148.639	30932474
DeepCCS	[M-H]-	145.288	30932474
DeepCCS	[M-2H]-	182.39	30932474
DeepCCS	[M+Na]+	158.018	30932474
AllCCS	[M+H]+	145.4	32859911
AllCCS	[M+H-H2O]+	142.1	32859911
AllCCS	[M+NH4]+	148.4	32859911
AllCCS	[M+Na]+	149.3	32859911
AllCCS	[M-H]-	153.2	32859911
AllCCS	[M+Na-2H]-	154.6	32859911
AllCCS	[M+HCOO]-	156.1	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Spermine	NCCCNCCCCNCCCN	2595.6	Standard polar	33892256
Spermine	NCCCNCCCCNCCCN	2087.2	Standard non polar	33892256
Spermine	NCCCNCCCCNCCCN	1820.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Spermine,1TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN	2149.0	Semi standard non polar	33892256
Spermine,1TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN	2130.4	Standard non polar	33892256
Spermine,1TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN	3318.6	Standard polar	33892256
Spermine,1TMS,isomer #2	C[Si](C)(C)N(CCCN)CCCCNCCCN	2036.5	Semi standard non polar	33892256
Spermine,1TMS,isomer #2	C[Si](C)(C)N(CCCN)CCCCNCCCN	2042.1	Standard non polar	33892256
Spermine,1TMS,isomer #2	C[Si](C)(C)N(CCCN)CCCCNCCCN	3678.4	Standard polar	33892256
Spermine,2TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN[Si](C)(C)C	2318.5	Semi standard non polar	33892256
Spermine,2TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN[Si](C)(C)C	2448.4	Standard non polar	33892256
Spermine,2TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN[Si](C)(C)C	2733.8	Standard polar	33892256
Spermine,2TMS,isomer #2	C[Si](C)(C)N(CCCNCCCCNCCCN)[Si](C)(C)C	2337.8	Semi standard non polar	33892256
Spermine,2TMS,isomer #2	C[Si](C)(C)N(CCCNCCCCNCCCN)[Si](C)(C)C	2357.6	Standard non polar	33892256
Spermine,2TMS,isomer #2	C[Si](C)(C)N(CCCNCCCCNCCCN)[Si](C)(C)C	3196.0	Standard polar	33892256
Spermine,2TMS,isomer #3	C[Si](C)(C)NCCCN(CCCCNCCCN)[Si](C)(C)C	2224.8	Semi standard non polar	33892256
Spermine,2TMS,isomer #3	C[Si](C)(C)NCCCN(CCCCNCCCN)[Si](C)(C)C	2293.9	Standard non polar	33892256
Spermine,2TMS,isomer #3	C[Si](C)(C)NCCCN(CCCCNCCCN)[Si](C)(C)C	3148.0	Standard polar	33892256
Spermine,2TMS,isomer #4	C[Si](C)(C)NCCCNCCCCN(CCCN)[Si](C)(C)C	2187.8	Semi standard non polar	33892256
Spermine,2TMS,isomer #4	C[Si](C)(C)NCCCNCCCCN(CCCN)[Si](C)(C)C	2298.7	Standard non polar	33892256
Spermine,2TMS,isomer #4	C[Si](C)(C)NCCCNCCCCN(CCCN)[Si](C)(C)C	3124.9	Standard polar	33892256
Spermine,2TMS,isomer #5	C[Si](C)(C)N(CCCN)CCCCN(CCCN)[Si](C)(C)C	2090.1	Semi standard non polar	33892256
Spermine,2TMS,isomer #5	C[Si](C)(C)N(CCCN)CCCCN(CCCN)[Si](C)(C)C	2214.4	Standard non polar	33892256
Spermine,2TMS,isomer #5	C[Si](C)(C)N(CCCN)CCCCN(CCCN)[Si](C)(C)C	3537.9	Standard polar	33892256
Spermine,3TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	2464.3	Semi standard non polar	33892256
Spermine,3TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	2627.4	Standard non polar	33892256
Spermine,3TMS,isomer #1	C[Si](C)(C)NCCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	2527.6	Standard polar	33892256
Spermine,3TMS,isomer #2	C[Si](C)(C)NCCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C	2326.0	Semi standard non polar	33892256
Spermine,3TMS,isomer #2	C[Si](C)(C)NCCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C	2540.0	Standard non polar	33892256
Spermine,3TMS,isomer #2	C[Si](C)(C)NCCCNCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C	2543.1	Standard polar	33892256
Spermine,3TMS,isomer #3	C[Si](C)(C)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C	2423.8	Semi standard non polar	33892256
Spermine,3TMS,isomer #3	C[Si](C)(C)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C	2505.7	Standard non polar	33892256
Spermine,3TMS,isomer #3	C[Si](C)(C)N(CCCCNCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C	2984.2	Standard polar	33892256
Spermine,3TMS,isomer #4	C[Si](C)(C)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	2368.8	Semi standard non polar	33892256
Spermine,3TMS,isomer #4	C[Si](C)(C)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	2500.7	Standard non polar	33892256
Spermine,3TMS,isomer #4	C[Si](C)(C)N(CCCN)CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C	2969.0	Standard polar	33892256
Spermine,3TMS,isomer #5	C[Si](C)(C)NCCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C	2214.8	Semi standard non polar	33892256
Spermine,3TMS,isomer #5	C[Si](C)(C)NCCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C	2437.9	Standard non polar	33892256
Spermine,3TMS,isomer #5	C[Si](C)(C)NCCCN(CCCCN(CCCN)[Si](C)(C)C)[Si](C)(C)C	2962.1	Standard polar	33892256
Spermine,4TMS,isomer #1	C[Si](C)(C)N(CCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2644.4	Semi standard non polar	33892256
Spermine,4TMS,isomer #1	C[Si](C)(C)N(CCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2737.5	Standard non polar	33892256
Spermine,4TMS,isomer #1	C[Si](C)(C)N(CCCNCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2418.0	Standard polar	33892256
Spermine,4TMS,isomer #2	C[Si](C)(C)NCCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2488.7	Semi standard non polar	33892256
Spermine,4TMS,isomer #2	C[Si](C)(C)NCCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2675.2	Standard non polar	33892256
Spermine,4TMS,isomer #2	C[Si](C)(C)NCCCN(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2445.9	Standard polar	33892256
Spermine,4TMS,isomer #3	C[Si](C)(C)NCCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2504.6	Semi standard non polar	33892256
Spermine,4TMS,isomer #3	C[Si](C)(C)NCCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2680.3	Standard non polar	33892256
Spermine,4TMS,isomer #3	C[Si](C)(C)NCCCNCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2451.0	Standard polar	33892256
Spermine,4TMS,isomer #4	C[Si](C)(C)NCCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2336.5	Semi standard non polar	33892256
Spermine,4TMS,isomer #4	C[Si](C)(C)NCCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2619.1	Standard non polar	33892256
Spermine,4TMS,isomer #4	C[Si](C)(C)NCCCN(CCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2476.6	Standard polar	33892256
Spermine,4TMS,isomer #5	C[Si](C)(C)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2454.2	Semi standard non polar	33892256
Spermine,4TMS,isomer #5	C[Si](C)(C)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2611.7	Standard non polar	33892256
Spermine,4TMS,isomer #5	C[Si](C)(C)N(CCCN)CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2852.3	Standard polar	33892256
Spermine,5TMS,isomer #1	C[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	2708.5	Semi standard non polar	33892256
Spermine,5TMS,isomer #1	C[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	2782.3	Standard non polar	33892256
Spermine,5TMS,isomer #1	C[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	2365.1	Standard polar	33892256
Spermine,5TMS,isomer #2	C[Si](C)(C)NCCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2562.5	Semi standard non polar	33892256
Spermine,5TMS,isomer #2	C[Si](C)(C)NCCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2719.3	Standard non polar	33892256
Spermine,5TMS,isomer #2	C[Si](C)(C)NCCCN(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C	2396.1	Standard polar	33892256
Spermine,6TMS,isomer #1	C[Si](C)(C)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	2819.0	Semi standard non polar	33892256
Spermine,6TMS,isomer #1	C[Si](C)(C)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	2795.0	Standard non polar	33892256
Spermine,6TMS,isomer #1	C[Si](C)(C)N(CCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C	2354.0	Standard polar	33892256
Spermine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN	2360.3	Semi standard non polar	33892256
Spermine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN	2321.3	Standard non polar	33892256
Spermine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN	3307.0	Standard polar	33892256
Spermine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCN)CCCCNCCCN	2296.2	Semi standard non polar	33892256
Spermine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCN)CCCCNCCCN	2231.1	Standard non polar	33892256
Spermine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCN)CCCCNCCCN	3691.1	Standard polar	33892256
Spermine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN[Si](C)(C)C(C)(C)C	2769.4	Semi standard non polar	33892256
Spermine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN[Si](C)(C)C(C)(C)C	2837.5	Standard non polar	33892256
Spermine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN[Si](C)(C)C(C)(C)C	2728.3	Standard polar	33892256
Spermine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCNCCCCNCCCN)[Si](C)(C)C(C)(C)C	2763.0	Semi standard non polar	33892256
Spermine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCNCCCCNCCCN)[Si](C)(C)C(C)(C)C	2717.9	Standard non polar	33892256
Spermine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)N(CCCNCCCCNCCCN)[Si](C)(C)C(C)(C)C	3087.7	Standard polar	33892256
Spermine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C	2716.2	Semi standard non polar	33892256
Spermine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C	2701.6	Standard non polar	33892256
Spermine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCN(CCCCNCCCN)[Si](C)(C)C(C)(C)C	3073.5	Standard polar	33892256
Spermine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C	2687.2	Semi standard non polar	33892256
Spermine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C	2706.1	Standard non polar	33892256
Spermine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN)[Si](C)(C)C(C)(C)C	3056.8	Standard polar	33892256
Spermine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCN)CCCCN(CCCN)[Si](C)(C)C(C)(C)C	2620.7	Semi standard non polar	33892256
Spermine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCN)CCCCN(CCCN)[Si](C)(C)C(C)(C)C	2641.0	Standard non polar	33892256
Spermine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCN)CCCCN(CCCN)[Si](C)(C)C(C)(C)C	3479.7	Standard polar	33892256
Spermine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3138.8	Semi standard non polar	33892256
Spermine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3130.9	Standard non polar	33892256
Spermine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)NCCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2716.9	Standard polar	33892256
Spermine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3044.6	Semi standard non polar	33892256
Spermine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3072.9	Standard non polar	33892256
Spermine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2749.8	Standard polar	33892256
Spermine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3096.8	Semi standard non polar	33892256
Spermine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3013.0	Standard non polar	33892256
Spermine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)N(CCCCNCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.1	Standard polar	33892256
Spermine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3044.9	Semi standard non polar	33892256
Spermine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3015.9	Standard non polar	33892256
Spermine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)N(CCCN)CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2984.9	Standard polar	33892256
Spermine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3000.4	Semi standard non polar	33892256
Spermine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2988.3	Standard non polar	33892256
Spermine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3011.5	Standard polar	33892256
Spermine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3469.4	Semi standard non polar	33892256
Spermine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3364.5	Standard non polar	33892256
Spermine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCNCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2734.0	Standard polar	33892256
Spermine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3425.8	Semi standard non polar	33892256
Spermine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3314.2	Standard non polar	33892256
Spermine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCN(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2783.5	Standard polar	33892256
Spermine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3438.2	Semi standard non polar	33892256
Spermine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3318.3	Standard non polar	33892256
Spermine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NCCCNCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2784.0	Standard polar	33892256
Spermine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3346.9	Semi standard non polar	33892256
Spermine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3253.7	Standard non polar	33892256
Spermine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2831.4	Standard polar	33892256
Spermine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3363.7	Semi standard non polar	33892256
Spermine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3229.1	Standard non polar	33892256
Spermine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)N(CCCN)CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2996.2	Standard polar	33892256
Spermine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3765.5	Semi standard non polar	33892256
Spermine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3507.5	Standard non polar	33892256
Spermine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2799.4	Standard polar	33892256
Spermine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3710.3	Semi standard non polar	33892256
Spermine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3439.7	Standard non polar	33892256
Spermine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NCCCN(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2849.1	Standard polar	33892256
Spermine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	4059.4	Semi standard non polar	33892256
Spermine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3639.7	Standard non polar	33892256
Spermine,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)N(CCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	2891.0	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-014u-1900000000-e9620319823eaecceccc	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (x TMS)	splash10-00s6-3900000000-d7da5cd1c0be289412ee	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-00r6-1900000000-861e0541e2eb67219b93	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	splash10-00di-7900000000-9706a16d903df3f9e094	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)	splash10-00di-5900000000-eb1574dc4aea2972932b	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (5 TMS)	splash10-00ei-8900000000-710d44c573ed398f7db9	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (5 TMS)	splash10-00s6-3900000000-cb82c1371fa767015cff	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (6 TMS)	splash10-00rf-1900000000-ca3a2df44acb740134cd	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (6 TMS)	splash10-00y0-1900000000-7ba8e67861945901b381	2014-06-16	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-014u-1900000000-e9620319823eaecceccc	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-00s6-3900000000-d7da5cd1c0be289412ee	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-00r6-1900000000-861e0541e2eb67219b93	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-00di-7900000000-9706a16d903df3f9e094	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-00di-5900000000-eb1574dc4aea2972932b	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (Non-derivatized)	splash10-00ei-8900000000-710d44c573ed398f7db9	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (Non-derivatized)	splash10-00s6-3900000000-cb82c1371fa767015cff	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (Non-derivatized)	splash10-00rf-1900000000-ca3a2df44acb740134cd	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-MS (Non-derivatized)	splash10-00y0-1900000000-7ba8e67861945901b381	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-01bl-1900000000-5a4875c4cf337f0cff9c	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-000i-7900000000-4e66988ec8e890a03e13	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-00rf-2900000000-9d5a63fbbd1662e5dc43	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Spermine GC-EI-TOF (Non-derivatized)	splash10-01w1-4900000000-f7c07f1cee7101fc31d7	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Spermine GC-MS (Non-derivatized) - 70eV, Positive	splash10-053r-9300000000-2ce22d19e72f10b80f34	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Spermine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-053u-9100000000-5a106273203d28e4a701	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0w29-2940000000-a8b05c7cfaea58c5d82d	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-03di-1900000000-75ac3953e5378c465a62	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-001i-9000000000-e3b84db5723912be8a4f	2012-07-24	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0udi-0930000000-4bb02118dea11e2101f8	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0006-9000000000-468357ae06dea8985d85	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-00b9-6900000000-cf244bbfdbb5b7889d7a	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-004i-0900000000-c5af077deeab934c36b7	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0udi-0940000000-098121f449eb29dd74be	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-0006-9000000000-167ef7503b0827eb212f	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-03di-0900000000-feb04e188e675948f795	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOF	splash10-004i-0900000000-93e15f4592fe9bbeb367	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF	splash10-0udi-0090000000-c22e98adb3dc62b1eb77	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF	splash10-01t9-0900000000-76aa5e4bf523c2027cba	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF	splash10-03di-4900000000-b762c20d8a09a78cf931	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF	splash10-001i-9300000000-0428cb6df2b593ded567	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF	splash10-001i-9000000000-c319f927047d78e2b69b	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-004i-0900000000-b4f106f6fe26766fbf73	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-03di-0900000000-29d4a223bb44ded927b5	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Spermine LC-ESI-IT (LC/MSD Trap XCT, Agilent Technologies) , Positive-QTOF	splash10-01q9-9500000000-d1b7e914e9ccee2d0f66	2012-08-31	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Spermine 10V, Positive-QTOF	splash10-0udr-2970000000-268b93360fb5eaa19e49	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Spermine 20V, Positive-QTOF	splash10-0a73-9810000000-ee919f22493191f56708	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Spermine 40V, Positive-QTOF	splash10-0a4l-9200000000-f7cb18a7a6036554cb6b	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Spermine 10V, Negative-QTOF	splash10-0udi-0090000000-ea2e2f233958fa61cd8b	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Spermine 20V, Negative-QTOF	splash10-0udi-3390000000-0ade7d389047531a84ee	2015-05-27	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Spermine 40V, Negative-QTOF	splash10-05fu-9200000000-e760ec8b3259e54992ce	2015-05-27	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)	2012-12-04	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Cerebrospinal Fluid (CSF)
Feces
Saliva
Urine

Tissue Locations

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

Pathways

Name	SMPDB/PathBank	KEGG
Spermidine and Spermine Biosynthesis		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Blood	Detected and Quantified	9.97 +/- 3.26 uM	Adult (>18 years old)	Male	Normal	Geigy Scientific ...	details
Blood	Detected and Quantified	0.03 +/- 0.04 uM	Adult (>18 years old)	Both	Normal	22626821	details
Blood	Detected and Quantified	0.09(0.06-0.14) uM	Children (1-13 uears old)	Both	Normal	27294788	details
Blood	Detected and Quantified	0.15-0.50 uM	Adult (>18 years old)	Both	Normal	6588257	details
Cerebrospinal Fluid (CSF)	Detected and Quantified	0.14 +/- 0.01 uM	Adult (>18 years old)	Both	Normal	15745737	details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	20669995	details
Saliva	Detected and Quantified	0.63 +/- 0.67 uM	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details
Saliva	Detected and Quantified	0.04 uM	Adult (>18 years old)	Both	Normal	11419735	details
Saliva	Detected and Quantified	0.00733 +/- 0.0381 uM	Adult (>18 years old)	Male	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.0665 +/- 0.0665 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.0962 +/- 0.262 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected and Quantified	0.242 +/- 0.565 uM	Adult (>18 years old)	Female	Normal	Sugimoto et al. (...	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Not Specified	Normal	22727327	details
Urine	Detected and Quantified	0.08 (0.01-0.28) umol/mmol creatinine	Adult (>18 years old)	Both	Normal	3757213	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	9464484	details
Urine	Detected and Quantified	0.058 +/- 0.026 umol/mmol creatinine	Adult (>18 years old)	Both	Not Available	9464484	details
Urine	Detected and Quantified	0.019 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	19309105	details
Urine	Detected and Quantified	0.01-0.62 umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	32340350	details
Urine	Detected and Quantified	0.06(0.01-0.72) umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	32340350	details
Urine	Detected and Quantified	0.03(0.01-0.28) umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	32340350	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	32966057	details
Urine	Detected and Quantified	0.13 +/- 0.065 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Geigy Scientific ... West Cadwell, N.J... Basel, Switzerlan...	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	0.0092 +/- 0.0076 uM	Adult (>18 years old)	Both	uremia	22626821	details
Blood	Detected and Quantified	0.08(0.05-0.13) uM	Children (1-13 uears old)	Both	Environmental enteric dysfunction	27294788	details
Blood	Detected and Quantified	0.0901 +/- 0.0802 uM	Adult (>18 years old)	Both	Uremia	12675874	details
Urine	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Leukemia	9464484	details
Urine	Detected and Quantified	0.463 +/- 0.214 umol/mmol creatinine	Adult (>18 years old)	Both	Leukemia	9464484	details

Associated Disorders and Diseases

Disease References

Uremia
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 ] Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Leukemia
Lee SH, Suh JW, Chung BC, Kim SO: Polyamine profiles in the urine of patients with leukemia. Cancer Lett. 1998 Jan 9;122(1-2):1-8. [PubMed:9464484 ]

Associated OMIM IDs

None

External Links

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

VMH ID

SPRM

MarkerDB ID

MDB00000311

Good Scents ID

Not Available

References

Synthesis Reference

Wrede, Fritz; Strack, Erich; Hettche, Otto. Spermine. VII. Z. physiol. Chem. (1928), 173 61-8.

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]
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. [PubMed:7454431 ]
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. [PubMed:3004602 ]
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. [PubMed:8780544 ]
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. [PubMed:11419735 ]
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. [PubMed:7350997 ]
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. [PubMed:7173947 ]
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. [PubMed:2297664 ]
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. [PubMed:1176793 ]
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. [PubMed:9467015 ]
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. [PubMed:14712304 ]
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. [PubMed:6625645 ]
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 ]

Only showing the first 10 proteins. There are 26 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details

1. Diamine acetyltransferase 2

General function:: Involved in N-acetyltransferase activity
Specific function:: Enzyme which catalyzes the acetylation of polyamines. Substrate specificity: norspermidine > spermidine = spermine >> N(1)acetylspermine = putrescine.
Gene Name:: SAT2
Uniprot ID:: Q96F10
Molecular weight:: 19154.905

References

Chen Y, Vujcic S, Liang P, Diegelman P, Kramer DL, Porter CW: Genomic identification and biochemical characterization of a second spermidine/spermine N1-acetyltransferase. Biochem J. 2003 Aug 1;373(Pt 3):661-7. [PubMed:12803540 ]
Coleman CS, Stanley BA, Jones AD, Pegg AE: Spermidine/spermine-N1-acetyltransferase-2 (SSAT2) acetylates thialysine and is not involved in polyamine metabolism. Biochem J. 2004 Nov 15;384(Pt 1):139-48. [PubMed:15283699 ]
Vogel NL, Boeke M, Ashburner BP: Spermidine/Spermine N1-Acetyltransferase 2 (SSAT2) functions as a coactivator for NF-kappaB and cooperates with CBP and P/CAF to enhance NF-kappaB-dependent transcription. Biochim Biophys Acta. 2006 Oct;1759(10):470-7. Epub 2006 Aug 30. [PubMed:17011643 ]
Limsuwun K, Jones PG: Spermidine acetyltransferase is required to prevent spermidine toxicity at low temperatures in Escherichia coli. J Bacteriol. 2000 Oct;182(19):5373-80. [PubMed:10986239 ]

Enzyme Details

2. Diamine acetyltransferase 1

General function:: Involved in N-acetyltransferase activity
Specific function:: Enzyme which catalyzes the acetylation of polyamines. Substrate specificity: norspermidine = spermidine >> spermine > N(1)-acetylspermine > putrescine. This highly regulated enzyme allows a fine attenuation of the intracellular concentration of polyamines. Also involved in the regulation of polyamine transport out of cells. Acts on 1,3-diaminopropane, 1,5-diaminopentane, putrescine, spermidine (forming N(1)- and N(8)-acetylspermidine), spermine, N(1)-acetylspermidine and N(8)-acetylspermidine.
Gene Name:: SAT1
Uniprot ID:: P21673
Molecular weight:: 20023.8

References

Vujcic S, Halmekyto M, Diegelman P, Gan G, Kramer DL, Janne J, Porter CW: Effects of conditional overexpression of spermidine/spermine N1-acetyltransferase on polyamine pool dynamics, cell growth, and sensitivity to polyamine analogs. J Biol Chem. 2000 Dec 8;275(49):38319-28. [PubMed:10978316 ]
Hegardt C, Andersson G, Oredsson SM: Changes in polyamine metabolism during glucocorticoid-induced programmed cell death in mouse thymus. Cell Biol Int. 2000;24(12):871-80. [PubMed:11114236 ]
Marverti G, Bettuzzi S, Astancolle S, Pinna C, Monti MG, Moruzzi MS: Differential induction of spermidine/spermine N1-acetyltransferase activity in cisplatin-sensitive and -resistant ovarian cancer cells in response to N1,N12-bis(ethyl)spermine involves transcriptional and post-transcriptional regulation. Eur J Cancer. 2001 Jan;37(2):281-9. [PubMed:11166157 ]
Scorcioni F, Corti A, Davalli P, Astancolle S, Bettuzzi S: Manipulation of the expression of regulatory genes of polyamine metabolism results in specific alterations of the cell-cycle progression. Biochem J. 2001 Feb 15;354(Pt 1):217-23. [PubMed:11171097 ]
Min SH, Simmen RC, Alhonen L, Halmekyto M, Porter CW, Janne J, Simmen FA: Altered levels of growth-related and novel gene transcripts in reproductive and other tissues of female mice overexpressing spermidine/spermine N1-acetyltransferase (SSAT). J Biol Chem. 2002 Feb 1;277(5):3647-57. Epub 2001 Nov 14. [PubMed:11709547 ]
Limsuwun K, Jones PG: Spermidine acetyltransferase is required to prevent spermidine toxicity at low temperatures in Escherichia coli. J Bacteriol. 2000 Oct;182(19):5373-80. [PubMed:10986239 ]

Enzyme Details

3. Xanthine dehydrogenase/oxidase

General function:: Involved in oxidoreductase activity
Specific function:: Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
Gene Name:: XDH
Uniprot ID:: P47989
Molecular weight:: 146422.99

References

Lovaas E, Carlin G: Spermine: an anti-oxidant and anti-inflammatory agent. Free Radic Biol Med. 1991;11(5):455-61. [PubMed:1663062 ]

Enzyme Details

4. Choline dehydrogenase, mitochondrial

General function:: Involved in oxidoreductase activity, acting on CH-OH group of donors
Specific function:: Not Available
Gene Name:: CHDH
Uniprot ID:: Q8NE62
Molecular weight:: 65358.005

Enzyme Details

5. Dimethylglycine dehydrogenase, mitochondrial

General function:: Involved in oxidoreductase activity
Specific function:: Not Available
Gene Name:: DMGDH
Uniprot ID:: Q9UI17
Molecular weight:: 96810.135

Enzyme Details

6. Spermine synthase

General function:: Involved in spermine synthase activity
Specific function:: Catalyzes the production of spermine from spermidine and decarboxylated S-adenosylmethionine (dcSAM).
Gene Name:: SMS
Uniprot ID:: P52788
Molecular weight:: 35278.2

Reactions

S-Adenosylmethioninamine + Spermidine → 5'-Methylthioadenosine + Spermine	details

References

Lopatin AN, Shantz LM, Mackintosh CA, Nichols CG, Pegg AE: Modulation of potassium channels in the hearts of transgenic and mutant mice with altered polyamine biosynthesis. J Mol Cell Cardiol. 2000 Nov;32(11):2007-24. [PubMed:11040105 ]
Korhonen VP, Niiranen K, Halmekyto M, Pietila M, Diegelman P, Parkkinen JJ, Eloranta T, Porter CW, Alhonen L, Janne J: Spermine deficiency resulting from targeted disruption of the spermine synthase gene in embryonic stem cells leads to enhanced sensitivity to antiproliferative drugs. Mol Pharmacol. 2001 Feb;59(2):231-8. [PubMed:11160858 ]
Cason AL, Ikeguchi Y, Skinner C, Wood TC, Holden KR, Lubs HA, Martinez F, Simensen RJ, Stevenson RE, Pegg AE, Schwartz CE: X-linked spermine synthase gene (SMS) defect: the first polyamine deficiency syndrome. Eur J Hum Genet. 2003 Dec;11(12):937-44. [PubMed:14508504 ]
Wang X, Ikeguchi Y, McCloskey DE, Nelson P, Pegg AE: Spermine synthesis is required for normal viability, growth, and fertility in the mouse. J Biol Chem. 2004 Dec 3;279(49):51370-5. Epub 2004 Sep 30. [PubMed:15459188 ]
Schwartz CE, Wang X, Stevenson RE, Pegg AE: Spermine synthase deficiency resulting in X-linked intellectual disability (Snyder-Robinson syndrome). Methods Mol Biol. 2011;720:437-45. doi: 10.1007/978-1-61779-034-8_28. [PubMed:21318891 ]
Wang X, Pegg AE: Use of (Gyro) Gy and spermine synthase transgenic mice to study functions of spermine. Methods Mol Biol. 2011;720:159-70. doi: 10.1007/978-1-61779-034-8_9. [PubMed:21318872 ]
Theiss C, Bohley P, Voigt J: Regulation by polyamines of ornithine decarboxylase activity and cell division in the unicellular green alga Chlamydomonas reinhardtii. Plant Physiol. 2002 Apr;128(4):1470-9. [PubMed:11950995 ]
Krauss M, Langnaese K, Richter K, Brunk I, Wieske M, Ahnert-Hilger G, Veh RW, Laube G: Spermidine synthase is prominently expressed in the striatal patch compartment and in putative interneurones of the matrix compartment. J Neurochem. 2006 Apr;97(1):174-89. Epub 2006 Mar 3. [PubMed:16515550 ]
Kobayashi M, Takao K, Shiota Y, Sugita Y, Takahashi M, Nakae D, Samejima K: Inhibition of putrescine aminopropyltransferase influences rat liver regeneration. Biol Pharm Bull. 2006 May;29(5):863-7. [PubMed:16651710 ]

Enzyme Details

7. Spermidine synthase

General function:: Involved in catalytic activity
Specific function:: Catalyzes the production of spermidine from putrescine and decarboxylated S-adenosylmethionine (dcSAM). Has a strong preference for putrescine as substrate, and has very low activity towards 1,3-diaminopropane. Has extremely low activity towards spermidine.
Gene Name:: SRM
Uniprot ID:: P19623
Molecular weight:: 33824.455

Reactions

S-Adenosylmethioninamine + Spermidine → 5'-Methylthioadenosine + Spermine	details

Enzyme Details

8. 4-trimethylaminobutyraldehyde dehydrogenase

General function:: Involved in oxidoreductase activity
Specific function:: Converts gamma-trimethylaminobutyraldehyde into gamma-butyrobetaine. Catalyzes the irreversible oxidation of a broad range of aldehydes to the corresponding acids in an NAD-dependent reaction.
Gene Name:: ALDH9A1
Uniprot ID:: P49189
Molecular weight:: 56291.485

Enzyme Details

9. Gamma-butyrobetaine dioxygenase

General function:: Involved in iron ion binding
Specific function:: Catalyzes the formation of L-carnitine from gamma-butyrobetaine.
Gene Name:: BBOX1
Uniprot ID:: O75936
Molecular weight:: 44714.6

Enzyme Details

10. Amiloride-sensitive amine oxidase [copper-containing]

General function:: Involved in copper ion binding
Specific function:: Catalyzes the degradation of compounds such as putrescine, histamine, spermine, and spermidine, substances involved in allergic and immune responses, cell proliferation, tissue differentiation, tumor formation, and possibly apoptosis. Placental DAO is thought to play a role in the regulation of the female reproductive function.
Gene Name:: ABP1
Uniprot ID:: P19801
Molecular weight:: 85377.1

Transporters

Enzyme Details

1. Solute carrier family 22 member 4

General function:: Involved in ion transmembrane transporter activity
Specific function:: Sodium-ion dependent, low affinity carnitine transporter. Probably transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Relative uptake activity ratio of carnitine to TEA is 1.78. A key substrate of this transporter seems to be ergothioneine (ET)
Gene Name:: SLC22A4
Uniprot ID:: Q9H015
Molecular weight:: 62154.5

References

Yabuuchi H, Tamai I, Nezu J, Sakamoto K, Oku A, Shimane M, Sai Y, Tsuji A: Novel membrane transporter OCTN1 mediates multispecific, bidirectional, and pH-dependent transport of organic cations. J Pharmacol Exp Ther. 1999 May;289(2):768-73. [PubMed:10215651 ]

Enzyme Details

2. Solute carrier family 22 member 1

General function:: Involved in ion transmembrane transporter activity
Specific function:: Translocates a broad array of organic cations with various structures and molecular weights including the model compounds 1-methyl-4-phenylpyridinium (MPP), tetraethylammonium (TEA), N-1-methylnicotinamide (NMN), 4-(4-(dimethylamino)styryl)- N-methylpyridinium (ASP), the endogenous compounds choline, guanidine, histamine, epinephrine, adrenaline, noradrenaline and dopamine, and the drugs quinine, and metformin. The transport of organic cations is inhibited by a broad array of compounds like tetramethylammonium (TMA), cocaine, lidocaine, NMDA receptor antagonists, atropine, prazosin, cimetidine, TEA and NMN, guanidine, cimetidine, choline, procainamide, quinine, tetrabutylammonium, and tetrapentylammonium. Translocates organic cations in an electrogenic and pH-independent manner. Translocates organic cations across the plasma membrane in both directions. Transports the polyamines spermine and spermidine. Transports pramipexole across the basolateral membrane of the proximal tubular epithelial cells. The choline transport is activated by MMTS. Regulated by various intracellular signaling pathways including inhibition by protein kinase A activation, and endogenously activation by the calmodulin complex, the calmodulin- dependent kinase II and LCK tyrosine kinase
Gene Name:: SLC22A1
Uniprot ID:: O15245
Molecular weight:: 61187.4

References

Busch AE, Quester S, Ulzheimer JC, Waldegger S, Gorboulev V, Arndt P, Lang F, Koepsell H: Electrogenic properties and substrate specificity of the polyspecific rat cation transporter rOCT1. J Biol Chem. 1996 Dec 20;271(51):32599-604. [PubMed:8955087 ]

Only showing the first 10 proteins. There are 26 proteins in total.

Show all enzymes and transporters

Showing metabocard for Spermine (HMDB0001256)

MOL for HMDB0001256 (Spermine)

3D MOL for HMDB0001256 (Spermine)

3D SDF for HMDB0001256 (Spermine)

3D-SDF for HMDB0001256 (Spermine)

PDB for HMDB0001256 (Spermine)

3D PDB for HMDB0001256 (Spermine)

SMILES for HMDB0001256 (Spermine)

INCHI for HMDB0001256 (Spermine)

Structure for HMDB0001256 (Spermine)

3D Structure for HMDB0001256 (Spermine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra

Enzymes

References

References

References

Reactions

References

Reactions

Transporters

References

References