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Showing metabocard for Spermidine (HMDB0001257)

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enzymes (27)transporters (2) Show 29 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:15:33 UTC
HMDB IDHMDB0001257
Secondary Accession Numbers
  • HMDB01257
Metabolite Identification
Common NameSpermidine
DescriptionSpermidine, also known as SPD, 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. Abnormal bleeding, such as bleeding spontaneously or profusely from a very minor injury can also occur. Spermidine exists in all living species, ranging from bacteria to humans. Within humans, spermidine participates in a number of enzymatic reactions. In particular, 5'-methylthioadenosine and spermidine can be biosynthesized from S-adenosylmethioninamine and putrescine by the enzyme spermidine synthase. In addition, S-adenosylmethioninamine and spermidine can be converted into 5'-methylthioadenosine and spermine through the action of the enzyme spermine synthase. In humans, spermidine is involved in spermidine and spermine biosynthesis. Outside of the human body, spermidine is found, on average, in the highest concentration within cow milk and oats. Spermidine has also been detected, but not quantified in several different foods, such as common chokecherries, watercress, agars, strawberry guava, and bog bilberries. This could make spermidine a potential biomarker for the consumption of these foods. Spermidine is consideres as an uremic toxine. Increased levels of uremic toxins can stimulate the production of reactive oxygen species. Chronic exposure to uremic toxins can lead to a number of conditions including renal damage, chronic kidney disease and cardiovascular disease. As a uremic toxin, this compound can cause uremic syndrome. Uremic toxins such as spermidine are actively transported into the kidneys via organic ion transporters (especially OAT3).
Structure
Data?1676999733
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0001257 (Spermidine)


  Mrv1652309042000202D          

 10  9  0  0  0  0            999 V2000
    2.2836    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
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3D MOL for HMDB0001257 (Spermidine)

HMDB0001257
     RDKit          3D
Spermidine
 29 28  0  0  0  0  0  0  0  0999 V2000
    5.1063    0.5322   -0.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -0.0973    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    0.9253    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497    0.4240    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8785   -0.6996   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652   -1.1335   -0.0640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4907   -0.1948   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358   -0.7416    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332    0.2508   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2004   -0.2428    0.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811    1.5471    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    0.1466    0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159   -0.8994   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -0.5787    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353    1.7315    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7801    1.4093   -0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257    0.1042    1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    1.2474    0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -0.4342   -1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463   -1.5729   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453   -1.2906    0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   -0.1110   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472    0.7675    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8540   -0.8580    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456   -1.6965   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025    0.3241   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7648    1.2572    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5219    0.2060    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9299   -0.3223   -0.4657 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
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
M  END
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3D SDF for HMDB0001257 (Spermidine)


  Mrv1652309042000202D          

 10  9  0  0  0  0            999 V2000
    2.2836    2.1434    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0001257

> <DATABASE_NAME>
hmdb

> <SMILES>
NCCCCNCCCN

> <INCHI_IDENTIFIER>
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2

> <INCHI_KEY>
ATHGHQPFGPMSJY-UHFFFAOYSA-N

> <FORMULA>
C7H19N3

> <MOLECULAR_WEIGHT>
145.2459

> <EXACT_MASS>
145.157897623

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
29

> <JCHEM_AVERAGE_POLARIZABILITY>
18.802478340004217

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4-aminobutyl)(3-aminopropyl)amine

> <ALOGPS_LOGP>
-0.62

> <JCHEM_LOGP>
-1.1495639400000002

> <ALOGPS_LOGS>
-0.65

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA_STRONGEST_BASIC>
10.676624477088431

> <JCHEM_POLAR_SURFACE_AREA>
64.07

> <JCHEM_REFRACTIVITY>
44.968399999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.27e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
spermidine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0001257 (Spermidine)

HMDB0001257
     RDKit          3D
Spermidine
 29 28  0  0  0  0  0  0  0  0999 V2000
    5.1063    0.5322   -0.0635 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -0.0973    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7271    0.9253    0.1595 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3497    0.4240    0.4739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8785   -0.6996   -0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652   -1.1335   -0.0640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4907   -0.1948   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8358   -0.7416    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9332    0.2508   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2004   -0.2428    0.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9811    1.5471    0.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8612    0.1466    0.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7159   -0.8994   -0.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9207   -0.5787    1.2408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9353    1.7315    0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7801    1.4093   -0.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3257    0.1042    1.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5833    1.2474    0.3768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9592   -0.4342   -1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5463   -1.5729   -0.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453   -1.2906    0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6430   -0.1110   -1.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3472    0.7675    0.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8540   -0.8580    1.2018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0456   -1.6965   -0.3794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0025    0.3241   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7648    1.2572    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5219    0.2060    1.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9299   -0.3223   -0.4657 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
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
M  END
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PDB for HMDB0001257 (Spermidine)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0       4.263   4.001   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      10.931   4.771   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0      16.266   4.771   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
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3D PDB for HMDB0001257 (Spermidine)

COMPND    HMDB0001257
HETATM    1  N1  UNL     1       5.106   0.532  -0.063  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.809  -0.097   0.255  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.727   0.925   0.159  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.350   0.424   0.474  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.878  -0.700  -0.414  1.00  0.00           C  
HETATM    6  N2  UNL     1      -0.465  -1.134  -0.064  1.00  0.00           N  
HETATM    7  C5  UNL     1      -1.491  -0.195  -0.380  1.00  0.00           C  
HETATM    8  C6  UNL     1      -2.836  -0.742   0.116  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.933   0.251  -0.233  1.00  0.00           C  
HETATM   10  N3  UNL     1      -5.200  -0.243   0.249  1.00  0.00           N  
HETATM   11  H1  UNL     1       4.981   1.547   0.174  1.00  0.00           H  
HETATM   12  H2  UNL     1       5.861   0.147   0.575  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.716  -0.899  -0.516  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.921  -0.579   1.241  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.935   1.731   0.920  1.00  0.00           H  
HETATM   16  H6  UNL     1       2.780   1.409  -0.846  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.326   0.104   1.555  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.583   1.247   0.377  1.00  0.00           H  
HETATM   19  H9  UNL     1       0.959  -0.434  -1.489  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.546  -1.573  -0.274  1.00  0.00           H  
HETATM   21  H11 UNL     1      -0.445  -1.291   0.964  1.00  0.00           H  
HETATM   22  H12 UNL     1      -1.643  -0.111  -1.496  1.00  0.00           H  
HETATM   23  H13 UNL     1      -1.347   0.767   0.113  1.00  0.00           H  
HETATM   24  H14 UNL     1      -2.854  -0.858   1.202  1.00  0.00           H  
HETATM   25  H15 UNL     1      -3.046  -1.697  -0.379  1.00  0.00           H  
HETATM   26  H16 UNL     1      -4.003   0.324  -1.343  1.00  0.00           H  
HETATM   27  H17 UNL     1      -3.765   1.257   0.164  1.00  0.00           H  
HETATM   28  H18 UNL     1      -5.522   0.206   1.136  1.00  0.00           H  
HETATM   29  H19 UNL     1      -5.930  -0.322  -0.466  1.00  0.00           H  
CONECT    1    2   11   12
CONECT    2    3   13   14
CONECT    3    4   15   16
CONECT    4    5   17   18
CONECT    5    6   19   20
CONECT    6    7   21
CONECT    7    8   22   23
CONECT    8    9   24   25
CONECT    9   10   26   27
CONECT   10   28   29
END
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SMILES for HMDB0001257 (Spermidine)

NCCCCNCCCN
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INCHI for HMDB0001257 (Spermidine)

InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
1,5,10-TriazadecaneChEBI
4-AzaoctamethylenediamineChEBI
4-Azaoctane-1,8-diamineChEBI
N-(3-Aminopropyl)-1,4-butane-diamineChEBI
SpermidinChEBI
1,8-Diamino-4-azaoctaneHMDB
AminopropylbutandiamineHMDB
N-(3-Aminopropyl)-1,4-butanediamineHMDB
N-(3-Aminopropyl)-1,4-diamino-butaneHMDB
N-(3-Aminopropyl)-1,4-diaminobutaneHMDB
N-(3-Aminopropyl)-4-aminobutylamineHMDB
N-(4-Aminobutyl)-1,3-diaminopropaneHMDB
N-(gamma-Aminopropyl)tetramethylenediamineHMDB
SPDHMDB
Chemical FormulaC7H19N3
Average Molecular Weight145.2459
Monoisotopic Molecular Weight145.157897623
IUPAC Name(4-aminobutyl)(3-aminopropyl)amine
Traditional Namespermidine
CAS Registry Number124-20-9
SMILES
NCCCCNCCCN
InChI Identifier
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChI KeyATHGHQPFGPMSJY-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.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentDialkylamines
Alternative Parents
Substituents
  • Secondary aliphatic amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point< 25 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+MetCCS_train_pos131.89130932474
[M+H]+Not Available131.7http://allccs.zhulab.cn/database/detail?ID=AllCCS00000537
Predicted Molecular Properties
PropertyValueSource
Water Solubility32.7 g/LALOGPS
logP-0.62ALOGPS
logP-1.1ChemAxon
logS-0.65ALOGPS
pKa (Strongest Basic)10.68ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area64.07 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity44.97 m³·mol⁻¹ChemAxon
Polarizability18.8 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+132.80731661259
DarkChem[M-H]-128.12831661259
AllCCS[M+H]+132.39332859911
AllCCS[M-H]-135.17632859911
DeepCCS[M+H]+135.66830932474
DeepCCS[M-H]-133.21230932474
DeepCCS[M-2H]-169.35730932474
DeepCCS[M+Na]+144.5430932474
AllCCS[M+H]+132.432859911
AllCCS[M+H-H2O]+128.632859911
AllCCS[M+NH4]+136.032859911
AllCCS[M+Na]+137.032859911
AllCCS[M-H]-135.232859911
AllCCS[M+Na-2H]-137.632859911
AllCCS[M+HCOO]-140.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SpermidineNCCCCNCCCN2053.6Standard polar33892256
SpermidineNCCCCNCCCN1407.1Standard non polar33892256
SpermidineNCCCCNCCCN1305.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Spermidine,1TMS,isomer #1C[Si](C)(C)NCCCCNCCCN1629.0Semi standard non polar33892256
Spermidine,1TMS,isomer #1C[Si](C)(C)NCCCCNCCCN1646.9Standard non polar33892256
Spermidine,1TMS,isomer #1C[Si](C)(C)NCCCCNCCCN2557.9Standard polar33892256
Spermidine,1TMS,isomer #2C[Si](C)(C)NCCCNCCCCN1623.1Semi standard non polar33892256
Spermidine,1TMS,isomer #2C[Si](C)(C)NCCCNCCCCN1647.9Standard non polar33892256
Spermidine,1TMS,isomer #2C[Si](C)(C)NCCCNCCCCN2552.0Standard polar33892256
Spermidine,1TMS,isomer #3C[Si](C)(C)N(CCCN)CCCCN1549.1Semi standard non polar33892256
Spermidine,1TMS,isomer #3C[Si](C)(C)N(CCCN)CCCCN1591.5Standard non polar33892256
Spermidine,1TMS,isomer #3C[Si](C)(C)N(CCCN)CCCCN2903.4Standard polar33892256
Spermidine,2TMS,isomer #1C[Si](C)(C)NCCCCNCCCN[Si](C)(C)C1792.8Semi standard non polar33892256
Spermidine,2TMS,isomer #1C[Si](C)(C)NCCCCNCCCN[Si](C)(C)C1925.2Standard non polar33892256
Spermidine,2TMS,isomer #1C[Si](C)(C)NCCCCNCCCN[Si](C)(C)C2056.0Standard polar33892256
Spermidine,2TMS,isomer #2C[Si](C)(C)N(CCCCNCCCN)[Si](C)(C)C1836.2Semi standard non polar33892256
Spermidine,2TMS,isomer #2C[Si](C)(C)N(CCCCNCCCN)[Si](C)(C)C1872.5Standard non polar33892256
Spermidine,2TMS,isomer #2C[Si](C)(C)N(CCCCNCCCN)[Si](C)(C)C2482.0Standard polar33892256
Spermidine,2TMS,isomer #3C[Si](C)(C)NCCCCN(CCCN)[Si](C)(C)C1707.2Semi standard non polar33892256
Spermidine,2TMS,isomer #3C[Si](C)(C)NCCCCN(CCCN)[Si](C)(C)C1813.0Standard non polar33892256
Spermidine,2TMS,isomer #3C[Si](C)(C)NCCCCN(CCCN)[Si](C)(C)C2383.2Standard polar33892256
Spermidine,2TMS,isomer #4C[Si](C)(C)N(CCCNCCCCN)[Si](C)(C)C1824.7Semi standard non polar33892256
Spermidine,2TMS,isomer #4C[Si](C)(C)N(CCCNCCCCN)[Si](C)(C)C1869.8Standard non polar33892256
Spermidine,2TMS,isomer #4C[Si](C)(C)N(CCCNCCCCN)[Si](C)(C)C2475.3Standard polar33892256
Spermidine,2TMS,isomer #5C[Si](C)(C)NCCCN(CCCCN)[Si](C)(C)C1733.2Semi standard non polar33892256
Spermidine,2TMS,isomer #5C[Si](C)(C)NCCCN(CCCCN)[Si](C)(C)C1812.2Standard non polar33892256
Spermidine,2TMS,isomer #5C[Si](C)(C)NCCCN(CCCCN)[Si](C)(C)C2393.6Standard polar33892256
Spermidine,3TMS,isomer #1C[Si](C)(C)NCCCNCCCCN([Si](C)(C)C)[Si](C)(C)C1972.6Semi standard non polar33892256
Spermidine,3TMS,isomer #1C[Si](C)(C)NCCCNCCCCN([Si](C)(C)C)[Si](C)(C)C2082.2Standard non polar33892256
Spermidine,3TMS,isomer #1C[Si](C)(C)NCCCNCCCCN([Si](C)(C)C)[Si](C)(C)C1962.6Standard polar33892256
Spermidine,3TMS,isomer #2C[Si](C)(C)NCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C1824.5Semi standard non polar33892256
Spermidine,3TMS,isomer #2C[Si](C)(C)NCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C2040.2Standard non polar33892256
Spermidine,3TMS,isomer #2C[Si](C)(C)NCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C1969.1Standard polar33892256
Spermidine,3TMS,isomer #3C[Si](C)(C)NCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C1961.7Semi standard non polar33892256
Spermidine,3TMS,isomer #3C[Si](C)(C)NCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C2080.4Standard non polar33892256
Spermidine,3TMS,isomer #3C[Si](C)(C)NCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C1960.1Standard polar33892256
Spermidine,3TMS,isomer #4C[Si](C)(C)N(CCCN)CCCCN([Si](C)(C)C)[Si](C)(C)C1931.4Semi standard non polar33892256
Spermidine,3TMS,isomer #4C[Si](C)(C)N(CCCN)CCCCN([Si](C)(C)C)[Si](C)(C)C2025.8Standard non polar33892256
Spermidine,3TMS,isomer #4C[Si](C)(C)N(CCCN)CCCCN([Si](C)(C)C)[Si](C)(C)C2285.6Standard polar33892256
Spermidine,3TMS,isomer #5C[Si](C)(C)N(CCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C1961.2Semi standard non polar33892256
Spermidine,3TMS,isomer #5C[Si](C)(C)N(CCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C2036.7Standard non polar33892256
Spermidine,3TMS,isomer #5C[Si](C)(C)N(CCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C2292.2Standard polar33892256
Spermidine,4TMS,isomer #1C[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2182.3Semi standard non polar33892256
Spermidine,4TMS,isomer #1C[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2231.2Standard non polar33892256
Spermidine,4TMS,isomer #1C[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1917.2Standard polar33892256
Spermidine,4TMS,isomer #2C[Si](C)(C)NCCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2045.8Semi standard non polar33892256
Spermidine,4TMS,isomer #2C[Si](C)(C)NCCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2202.4Standard non polar33892256
Spermidine,4TMS,isomer #2C[Si](C)(C)NCCCN(CCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1947.4Standard polar33892256
Spermidine,4TMS,isomer #3C[Si](C)(C)NCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2044.8Semi standard non polar33892256
Spermidine,4TMS,isomer #3C[Si](C)(C)NCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2204.1Standard non polar33892256
Spermidine,4TMS,isomer #3C[Si](C)(C)NCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1944.5Standard polar33892256
Spermidine,5TMS,isomer #1C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C2296.3Semi standard non polar33892256
Spermidine,5TMS,isomer #1C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C2343.9Standard non polar33892256
Spermidine,5TMS,isomer #1C[Si](C)(C)N(CCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C1912.9Standard polar33892256
Spermidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCNCCCN1837.9Semi standard non polar33892256
Spermidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCNCCCN1836.0Standard non polar33892256
Spermidine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCNCCCN2601.6Standard polar33892256
Spermidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCNCCCCN1832.9Semi standard non polar33892256
Spermidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCNCCCCN1839.1Standard non polar33892256
Spermidine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCNCCCCN2598.0Standard polar33892256
Spermidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN)CCCCN1794.5Semi standard non polar33892256
Spermidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN)CCCCN1786.9Standard non polar33892256
Spermidine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN)CCCCN2970.1Standard polar33892256
Spermidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCNCCCN[Si](C)(C)C(C)(C)C2247.0Semi standard non polar33892256
Spermidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCNCCCN[Si](C)(C)C(C)(C)C2273.6Standard non polar33892256
Spermidine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCNCCCN[Si](C)(C)C(C)(C)C2173.9Standard polar33892256
Spermidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCCNCCCN)[Si](C)(C)C(C)(C)C2260.8Semi standard non polar33892256
Spermidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCCNCCCN)[Si](C)(C)C(C)(C)C2247.1Standard non polar33892256
Spermidine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCCNCCCN)[Si](C)(C)C(C)(C)C2440.4Standard polar33892256
Spermidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCN(CCCN)[Si](C)(C)C(C)(C)C2194.9Semi standard non polar33892256
Spermidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCN(CCCN)[Si](C)(C)C(C)(C)C2221.0Standard non polar33892256
Spermidine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCN(CCCN)[Si](C)(C)C(C)(C)C2406.9Standard polar33892256
Spermidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCNCCCCN)[Si](C)(C)C(C)(C)C2244.4Semi standard non polar33892256
Spermidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCNCCCCN)[Si](C)(C)C(C)(C)C2249.0Standard non polar33892256
Spermidine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCNCCCCN)[Si](C)(C)C(C)(C)C2437.7Standard polar33892256
Spermidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCN(CCCCN)[Si](C)(C)C(C)(C)C2215.0Semi standard non polar33892256
Spermidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCN(CCCCN)[Si](C)(C)C(C)(C)C2222.7Standard non polar33892256
Spermidine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCN(CCCCN)[Si](C)(C)C(C)(C)C2417.4Standard polar33892256
Spermidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCNCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2649.9Semi standard non polar33892256
Spermidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCNCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2611.2Standard non polar33892256
Spermidine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCNCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2248.5Standard polar33892256
Spermidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2562.6Semi standard non polar33892256
Spermidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2575.0Standard non polar33892256
Spermidine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2280.7Standard polar33892256
Spermidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2643.6Semi standard non polar33892256
Spermidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2610.6Standard non polar33892256
Spermidine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2247.5Standard polar33892256
Spermidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCN)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2594.7Semi standard non polar33892256
Spermidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCN)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2555.8Standard non polar33892256
Spermidine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCN)CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2425.8Standard polar33892256
Spermidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2615.0Semi standard non polar33892256
Spermidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2563.6Standard non polar33892256
Spermidine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2431.0Standard polar33892256
Spermidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2994.9Semi standard non polar33892256
Spermidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2899.5Standard non polar33892256
Spermidine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2311.4Standard polar33892256
Spermidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCN(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2957.8Semi standard non polar33892256
Spermidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCN(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2856.5Standard non polar33892256
Spermidine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCN(CCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2360.9Standard polar33892256
Spermidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2959.7Semi standard non polar33892256
Spermidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2862.3Standard non polar33892256
Spermidine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2359.3Standard polar33892256
Spermidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCN([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)C3305.9Semi standard non polar33892256
Spermidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCN([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)C3087.5Standard non polar33892256
Spermidine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCN([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)C2418.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00di-5910000000-48794a2dc9d682aab28f2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-066u-1910000000-9fe6c1c8e8f166270be12014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-00rf-1900000000-c88ed717e55f237cf01c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (5 TMS)splash10-00di-6900000000-56396208515d9020bfeb2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-MS (4 TMS)splash10-0uki-5920000000-4aac8aba8d9635a96f1c2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-MS (5 TMS)splash10-00rf-1900000000-f4b7d8b055a8d50250362014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-MS (5 TMS)splash10-00di-1900000000-1be27daaf9f6d9e037522014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine EI-B (Non-derivatized)splash10-05tf-0910000000-280a5c2a493fedd0e5242017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Non-derivatized)splash10-00di-5910000000-48794a2dc9d682aab28f2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Non-derivatized)splash10-066u-1910000000-9fe6c1c8e8f166270be12017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Non-derivatized)splash10-00rf-1900000000-c88ed717e55f237cf01c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Non-derivatized)splash10-00di-6900000000-56396208515d9020bfeb2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-MS (Non-derivatized)splash10-0uki-5920000000-4aac8aba8d9635a96f1c2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-MS (Non-derivatized)splash10-00rf-1900000000-f4b7d8b055a8d50250362017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-MS (Non-derivatized)splash10-00di-1900000000-1be27daaf9f6d9e037522017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Non-derivatized)splash10-00rf-1900000000-866eda2dc91354bf795b2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Spermidine GC-EI-TOF (Non-derivatized)splash10-0uki-3920000000-2165a698c4bf674e814b2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spermidine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001r-9200000000-e6ccea992bf8aff101222016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Spermidine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-00dj-9800000000-02b200749ad6548a58722012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-00di-9000000000-c294fdb7876cfc47c0892012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-00di-9000000000-d3055c2a8763c8034bd22012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-052b-0900000000-f08a2a9ba7333f5b725c2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00b9-7900000000-062e21e4525351cbd0d42012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-014i-0900000000-31b90f68c9fde4e03f602012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0002-0920000000-28adf399f8ddd0affc222012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udj-0930000000-3ac88b6d5c40c65f13142012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0006-9000000000-953c054969edecf625332012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-00b9-7900000000-8b03c45141b38c718dac2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-004i-0900000000-1e157eec324aa34dd64e2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-0002-0900000000-f2ca6698501cf6a406df2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-00di-9300000000-2f23967aa87f8e5f5bc12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-00di-9000000000-91aef1c8b5a2507a16e92012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-00di-9000000000-18cdaecf173b5d79902a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-00di-9000000000-f0b03de09cb13146e7942012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QTOF , positive-QTOFsplash10-0092-5900000000-4bd537f0811cc264f2cb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QTOF , positive-QTOFsplash10-00di-9200000000-75eacba217a63f3b88472017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Spermidine LC-ESI-QTOF , positive-QTOFsplash10-00di-9000000000-8a77bd9436d55b0643322017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spermidine 10V, Positive-QTOFsplash10-004j-1900000000-300fe40eb32167464ab82015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spermidine 20V, Positive-QTOFsplash10-0729-9800000000-1a8be3c6776f3924c8b72015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spermidine 40V, Positive-QTOFsplash10-0abc-9000000000-6401e12d220b44018fdf2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spermidine 10V, Negative-QTOFsplash10-0006-1900000000-79940496e89b73bb16822015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spermidine 20V, Negative-QTOFsplash10-0006-3900000000-eb4eaf0bb3e88f274a1d2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Spermidine 40V, Negative-QTOFsplash10-00du-9000000000-fe762fb3fcd81e27f9c72015-05-27Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
Biospecimen Locations
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Urine
Tissue Locations
  • Brain
  • Epidermis
  • Erythrocyte
  • Fibroblasts
  • Intestine
  • Liver
  • Neuron
  • Placenta
  • Platelet
  • Prostate
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified10.3 +/- 3.78 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified8.47 +/- 2.02 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified0.07 +/- 0.04 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified0.13-0.40 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified0.12 +/- 0.04 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected and Quantified10 +/- 20 nmol/g wet fecesAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified1.78 +/- 1.65 uMAdult (>18 years old)FemaleNormal details
SalivaDetected and Quantified3.21 +/- 6.80 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified0.05 uMAdult (>18 years old)BothNormal details
SalivaDetected and Quantified1.27 +/- 1.70 uMAdult (>18 years old)Male
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified1.38 +/- 2.59 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.331 +/- 0.265 uMAdult (>18 years old)Both
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.402 +/- 0.320 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
SalivaDetected and Quantified0.487 +/- 1.02 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified0.552 +/- 0.329 uMAdult (>18 years old)Both
Normal
    • Sugimoto et al. (...
 details
UrineDetected and Quantified0.05 (0.01-0.09) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.112 +/- 0.008 umol/mmol creatinineAdult (>18 years old)BothNot Available details
UrineDetected and Quantified1.1 +/- 0.2 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified0.026 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.02-0.3 umol/mmol creatinineNewborn (0-30 days old)BothNormal details
UrineDetected and Quantified0.06(0.02-0.33) umol/mmol creatinineNewborn (0-30 days old)FemaleNormal details
UrineDetected and Quantified0.04(0.01-0.19) umol/mmol creatinineNewborn (0-30 days old)MaleNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.069 +/- 0.053 uMAdult (>18 years old)Bothuremia details
BloodDetected and Quantified0.670 +/- 0.310 uMAdult (>18 years old)Both
Uremia		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
SalivaDetected and Quantified0.46 +/- 0.14 uMAdult (>18 years old)MaleAlzheimer's disease details
SalivaDetected and Quantified0.72 +/- 0.39 uMAdult (>18 years old)MaleFrontotemporal lobe dementia details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleTooth Decay details
SalivaDetected and Quantified1.19 +/- 1.70 uMAdult (>18 years old)BothLewy body disease details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothLeukemia details
UrineDetected and Quantified0.347 +/- 0.147 umol/mmol creatinineAdult (>18 years old)BothLeukemia details
Associated Disorders and Diseases
Disease References
Uremia
  1. 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 ]
  2. 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 ]
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Crohn's disease
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Ulcerative colitis
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Alzheimer's disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Frontotemporal dementia
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Lewy body disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Tooth Decay
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Leukemia
  1. 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
DrugBank IDDB03566
Phenol Explorer Compound IDNot Available
FooDB IDFDB012039
KNApSAcK IDC00001431
Chemspider ID1071
KEGG Compound IDC00315
BioCyc IDSPERMIDINE
BiGG ID34593
Wikipedia LinkSpermidine
METLIN ID254
PubChem Compound1102
PDB IDNot Available
ChEBI ID16610
Food Biomarker OntologyNot Available
VMH IDSPMD
MarkerDB IDMDB00000312
Good Scents IDNot Available
References
Synthesis ReferenceBergeron, Raymond J., Jr. Preparation and formulation spermidine analogues for pharmaceutical use as tumor growth inhibitors. U.S. (2001), 31 pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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 ]
  2. 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 ]
  3. 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 ]
  4. 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 ]
  5. 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 ]
  6. Mirzoian PA, Promyslov MSh: [Contents of putrescine, spermidine and spermine in tissue of the human brain glial tumors]. Ukr Biokhim Zh (1978). 1979 Sep-Oct;51(5):474-6. [PubMed:516181 ]
  7. Chaisiri P, Harper ME, Blamey RW, Peeling WB, Griffiths K: Plasma spermidine concentrations in patients with tumours of the breast or prostate or testis. Clin Chim Acta. 1980 Jul 1;104(3):367-75. [PubMed:6156039 ]
  8. Martinet N, Beninati S, Nigra TP, Folk JE: N1N8-bis(gamma-glutamyl)spermidine cross-linking in epidermal-cell envelopes. Comparison of cross-link levels in normal and psoriatic cell envelopes. Biochem J. 1990 Oct 15;271(2):305-8. [PubMed:2241917 ]
  9. 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 ]
  10. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 29 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. 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
Enzyme Details
2. 3-ketoacyl-CoA thiolase, mitochondrial
General function:
Involved in transferase activity, transferring acyl groups other than amino-acyl groups
Specific function:
Abolishes BNIP3-mediated apoptosis and mitochondrial damage.
Gene Name:
ACAA2
Uniprot ID:
P42765
Molecular weight:
41923.82
Enzyme Details
3. Peroxisomal N(1)-acetyl-spermine/spermidine oxidase
General function:
Amino acid transport and metabolism
Specific function:
Flavoenzyme which catalyzes the oxidation of N(1)-acetylspermine to spermidine and is thus involved in the polyamine back-conversion. Can also oxidize N(1)-acetylspermidine to putrescine. Substrate specificity: N(1)-acetylspermine = N(1)-acetylspermidine > N(1),N(12)-diacylspermine >> spermine. Does not oxidize spermidine. Plays an important role in the regulation of polyamine intracellular concentration and has the potential to act as a determinant of cellular sensitivity to the antitumor polyamine analogs.
Gene Name:
PAOX
Uniprot ID:
Q6QHF9
Molecular weight:
55512.64
Reactions
N1-Acetylspermine + Oxygen + Water → Spermidine + Acetamidopropanal + Hydrogen peroxidedetails
Enzyme Details
4. Thioredoxin reductase 1, cytoplasmic
General function:
Involved in oxidoreductase activity
Specific function:
Isoform 1 may possess glutaredoxin activity as well as thioredoxin reductase activity and induces actin and tubulin polymerization, leading to formation of cell membrane protrusions. Isoform 4 enhances the transcriptional activity of estrogen receptors alpha and beta while isoform 5 enhances the transcriptional activity of the beta receptor only. Isoform 5 also mediates cell death induced by a combination of interferon-beta and retinoic acid.
Gene Name:
TXNRD1
Uniprot ID:
Q16881
Molecular weight:
70905.58
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
5. 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
6. 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
7. 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 + Sperminedetails
Enzyme Details
8. 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 + Putrescine → 5'-Methylthioadenosine + Spermidinedetails
S-Adenosylmethioninamine + Spermidine → 5'-Methylthioadenosine + Sperminedetails
Enzyme Details
9. Deoxyhypusine synthase
General function:
Involved in peptidyl-lysine modification to hypusine
Specific function:
Catalyzes the NAD-dependent oxidative cleavage of spermidine and the subsequent transfer of the butylamine moiety of spermidine to the epsilon-amino group of a specific lysine residue of the eIF-5A precursor protein to form the intermediate deoxyhypusine residue.
Gene Name:
DHPS
Uniprot ID:
P49366
Molecular weight:
40970.28
Reactions
[eIF5A-precursor]-lysine + Spermidine → [eIF5A-precursor]-deoxyhypusine + 1,3-Diaminopropanedetails
Enzyme Details
10. Propionyl-CoA carboxylase alpha chain, mitochondrial
General function:
Involved in catalytic activity
Specific function:
Not Available
Gene Name:
PCCA
Uniprot ID:
P05165
Molecular weight:
80058.295

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
  1. 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
  1. 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 29 proteins in total.

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