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Showing NP-Card for Selenomethionine (NP0000550)

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Record Information
Version2.0
Created at2006-08-13 08:10:37 UTC
Updated at2024-09-17 15:42:15 UTC
NP-MRD IDNP0000550
Secondary Accession NumbersNone
Natural Product Identification
Common NameSelenomethionine
DescriptionSelenomethionine (CAS: 1464-42-2) Is an amino acid containing selenium that cannot be synthesized by higher animals but can be obtained from plant material. Selenomethionine is the major seleno-compound in cereal grains (wheat grain, maize, and rice), soybeans, and enriched yeast. Seleno-compounds present in plants may have a profound effect on the health of animals and human subjects. It is now known that the total Se content cannot be used as an indication of its efficacy, but knowledge of individual selenocompounds is necessary to fully assess the significance. Thus, speciation of the seleno-compounds has moved to the forefront. Since animals and man are dependent upon plants for their nutritional requirements, this makes the types of seleno-compounds in plants even more critical. Se enters the food chain through incorporation into plant proteins, mostly as selenocysteine and selenomethionine at normal Se levels. There are two possible pathways for the catabolism of selenomethionine. One is the transsulfuration pathway via selenocystathionine to produce selenocysteine, which in turn is degraded into H2Se by the enzyme beta-lyase. The other pathway is the transamination-decarboxylation pathway. It was estimated that 90% of methionine is metabolized through this pathway and thus could be also the major route for selenomethionine catabolism (PMID: 14748935 ).
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000550 (Selenomethionine)

 
  Mrv1652309042000302D          

  9  8  0  0  1  0            999 V2000
   31.2511  -25.1991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.9622  -24.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4982  -24.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2511  -26.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6733  -25.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7871  -25.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4982  -23.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4262  -24.7808    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   34.1338  -25.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
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3D MOL for NP0000550 (Selenomethionine)

HMDB0003966
     RDKit          3D
Selenomethionine
 20 19  0  0  0  0  0  0  0  0999 V2000
    3.7621   -0.3677   -1.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754    0.0488    0.1446 Se  0  0  0  0  0  2  0  0  0  0  0  0
    0.6973   -0.1232   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1356    0.2581    0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6143    0.1763    0.5209 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9949   -1.1570    0.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749    1.1876   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630    2.4057   -0.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7848    0.7320   -1.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -0.7984   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408    0.5911   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -1.0715   -2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549   -1.1748   -0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    0.5222   -1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906   -0.4328    1.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233    1.2732    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    0.4136    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8095   -1.5106    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2324   -1.8551    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939    0.8824   -1.6595 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
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  1
  6 18  1  0
  6 19  1  0
  9 20  1  0
M  END
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3D SDF for NP0000550 (Selenomethionine)

 
  Mrv1652309042000302D          

  9  8  0  0  1  0            999 V2000
   31.2511  -25.1991    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.9622  -24.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4982  -24.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2511  -26.0357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.6733  -25.1991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.7871  -25.1991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.4982  -23.9442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.4262  -24.7808    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   34.1338  -25.2050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  5  8  1  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000550

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[Se]CC[C@H](N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

> <INCHI_KEY>
RJFAYQIBOAGBLC-BYPYZUCNSA-N

> <FORMULA>
C5H11NO2Se

> <MOLECULAR_WEIGHT>
196.11

> <EXACT_MASS>
196.995500429

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
14.638357525870418

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S)-2-amino-4-(methylselanyl)butanoic acid

> <ALOGPS_LOGP>
-2.46

> <JCHEM_LOGP>
-3.3019949587229283

> <ALOGPS_LOGS>
-0.25

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.5595213885250407

> <JCHEM_PKA_STRONGEST_BASIC>
9.502319448582847

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
42.90740000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.09e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
L-selenomethionine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for NP0000550 (Selenomethionine)

HMDB0003966
     RDKit          3D
Selenomethionine
 20 19  0  0  0  0  0  0  0  0999 V2000
    3.7621   -0.3677   -1.3207 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5754    0.0488    0.1446 Se  0  0  0  0  0  2  0  0  0  0  0  0
    0.6973   -0.1232   -0.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1356    0.2581    0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6143    0.1763    0.5209 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9949   -1.1570    0.1535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0749    1.1876   -0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8630    2.4057   -0.3563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7848    0.7320   -1.5654 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -0.7984   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408    0.5911   -1.8404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3027   -1.0715   -2.0591 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5549   -1.1748   -0.6789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5535    0.5222   -1.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906   -0.4328    1.6202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1233    1.2732    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1258    0.4136    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8095   -1.5106    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2324   -1.8551    0.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7939    0.8824   -1.6595 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
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  1
  6 18  1  0
  6 19  1  0
  9 20  1  0
M  END
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PDB for NP0000550 (Selenomethionine)

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  C   UNK     0      58.335 -47.038   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      59.663 -46.257   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      56.930 -46.257   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      58.335 -48.600   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      60.990 -47.038   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      55.603 -47.038   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      56.930 -44.696   0.000  0.00  0.00           O+0
HETATM    8 Se   UNK     0      62.396 -46.257   0.000  0.00  0.00          Se+0
HETATM    9  C   UNK     0      63.716 -47.049   0.000  0.00  0.00           C+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5                                                       
CONECT    3    1    6    7                                                  
CONECT    4    1                                                            
CONECT    5    2    8                                                       
CONECT    6    3                                                            
CONECT    7    3                                                            
CONECT    8    5    9                                                       
CONECT    9    8                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for NP0000550 (Selenomethionine)

COMPND    HMDB0003966
HETATM    1  C1  UNL     1       3.762  -0.368  -1.321  1.00  0.00           C  
HETATM    2 SE1  UNL     1       2.575   0.049   0.145  1.00  0.00          SE  
HETATM    3  C2  UNL     1       0.697  -0.123  -0.409  1.00  0.00           C  
HETATM    4  C3  UNL     1      -0.136   0.258   0.788  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.614   0.176   0.521  1.00  0.00           C  
HETATM    6  N1  UNL     1      -1.995  -1.157   0.154  1.00  0.00           N  
HETATM    7  C5  UNL     1      -2.075   1.188  -0.463  1.00  0.00           C  
HETATM    8  O1  UNL     1      -1.863   2.406  -0.356  1.00  0.00           O  
HETATM    9  O2  UNL     1      -2.785   0.732  -1.565  1.00  0.00           O  
HETATM   10  H1  UNL     1       4.728  -0.798  -0.965  1.00  0.00           H  
HETATM   11  H2  UNL     1       4.041   0.591  -1.840  1.00  0.00           H  
HETATM   12  H3  UNL     1       3.303  -1.072  -2.059  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.555  -1.175  -0.679  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.554   0.522  -1.270  1.00  0.00           H  
HETATM   15  H6  UNL     1       0.091  -0.433   1.620  1.00  0.00           H  
HETATM   16  H7  UNL     1       0.123   1.273   1.121  1.00  0.00           H  
HETATM   17  H8  UNL     1      -2.126   0.414   1.482  1.00  0.00           H  
HETATM   18  H9  UNL     1      -2.809  -1.511   0.705  1.00  0.00           H  
HETATM   19  H10 UNL     1      -1.232  -1.855   0.279  1.00  0.00           H  
HETATM   20  H11 UNL     1      -3.794   0.882  -1.659  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3
CONECT    3    4   13   14
CONECT    4    5   15   16
CONECT    5    6    7   17
CONECT    6   18   19
CONECT    7    8    8    9
CONECT    9   20
END
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SMILES for NP0000550 (Selenomethionine)

C[Se]CC[C@H](N)C(O)=O
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INCHI for NP0000550 (Selenomethionine)

InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
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View in JSmolView NMR Assignments
Synonyms
ValueSource
Selenomethionine, (+,-)-isomerHMDB
Selenomethionine se 75HMDB
RadioselenomethionineHMDB
Selenomethionine, (S)-isomerHMDB
SethotopeHMDB
Se 75, selenomethionineHMDB
Selenomethionine hydrochloride, (S)-isomerHMDB
(2S)-2-Amino-4-(methylseleno)butanoic acidHMDB
(2S)-2-Azaniumyl-4-methylselanylbutanoateHMDB
L-SelenomethionineHMDB
Seleno-L-methionineHMDB
2-Amino-4-(methylseleno)butanoic acidHMDB
2-Amino-4-(methylseleno)butyric acidHMDB
2-Amino-4-(methylselenyl)butyric acidHMDB
Selenium methionineHMDB
SelenomethionineMeSH
Chemical FormulaC5H11NO2Se
Average Mass196.1100 Da
Monoisotopic Mass196.99550 Da
IUPAC Name(2S)-2-amino-4-(methylselanyl)butanoic acid
Traditional NameL-selenomethionine
CAS Registry Number3211-76-5
SMILES
C[Se]CCC(N)C(O)=O
InChI Identifier
InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
InChI KeyRJFAYQIBOAGBLC-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Actinidia chinensisFooDB
Agaricus bisporusFooDB
AgaveFooDB
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
AmaranthusFooDB
Amelanchier alnifoliaFooDB
Anacardium occidentaleFooDB
Ananas comosusFooDB
Anas platyrhynchosFooDB
AnatidaeFooDB
Anethum graveolensFooDB
Angelica keiskeiFooDB
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anser anserFooDB
Anthriscus cerefoliumFooDB
Apis ceranaLOTUS Database
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
Apium graveolens var. rapaceumFooDB
Apium graveolens var. secalinumFooDB
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Artemisia dracunculusFooDB
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asparagus officinalisFooDB
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Basella albaFooDB
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisFooDB
Beta vulgaris ssp. ciclaFooDB
Bison bisonFooDB
Borago officinalisFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bubalus bubalisFooDB
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Canarium ovatumFooDB
Cantharellus cibariusFooDB
Capparis spinosaFooDB
Capra aegagrus hircusFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Ceratonia siliquaFooDB
CervidaeFooDB
Cervus canadensisFooDB
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus latifoliaFooDB
Citrus limonFooDB
Citrus maximaFooDB
Citrus paradisiFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
ColumbaFooDB
ColumbidaeFooDB
Corchorus olitoriusFooDB
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Curcuma longaFooDB
Cydonia oblongaFooDB
Cymbopogon citratusFooDB
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Dromaius novaehollandiaeFooDB
Dunaliella primolectaKNApSAcK Database
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Empetrum nigrumFooDB
Equus caballusFooDB
Eragrostis tefFooDB
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eutrema japonicumFooDB
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaFooDB
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fragaria x ananassaFooDB
Gallus gallusFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Grifola frondosaFooDB
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Homo sapiensLOTUS Database
Hordeum vulgareFooDB
Hyssopus officinalis L.FooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lagopus mutaFooDB
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lens culinarisFooDB
Lentinus edodesFooDB
Lepidium sativumFooDB
LeporidaeFooDB
Lepus timidusFooDB
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Litchi chinensisFooDB
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaFooDB
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha spicataFooDB
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Momordica charantiaFooDB
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
NelumboFooDB
Nelumbo nuciferaFooDB
Nephelium lappaceumFooDB
Numida meleagrisFooDB
Nuphar luteaFooDB
Ocimum basilicumFooDB
OdocoileusFooDB
Oenothera biennisFooDB
Olea europaeaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum majoranaFooDB
Origanum onitesFooDB
Origanum vulgareFooDB
Origanum X majoricumFooDB
OryctolagusFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
Ovis ariesFooDB
Pachyrhizus erosusFooDB
Panax ginsengFooDB
Pangium eduleFooDB
Panicum miliaceumFooDB
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Perideridia oreganaFooDB
Persea americanaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Pimenta dioicaFooDB
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Piper nigrum L.FooDB
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Polygonum alpinumFooDB
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Satureja hortensis L.FooDB
Satureja montanaFooDB
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Sinapis albaFooDB
SisymbriumFooDB
Solanum lycopersicumFooDB
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Spinacia oleraceaFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Tamarindus indicaFooDB
Taraxacum officinaleFooDB
Tetragonia tetragonioidesFooDB
ThelespermaFooDB
Thymus pulegioidesFooDB
Thymus vulgarisFooDB
Tilia cordataFooDB
Tilia L.FooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Typha angustifoliaFooDB
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Species Where Detected
Species NameSourceReference
Aspergillus fumigatusKNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentL-alpha-amino acids
Alternative Parents
Substituents
  • L-alpha-amino acid
  • Fatty acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Selenoether
  • Amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Primary amine
  • Organoselenium compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point275 °CNot Available
Boiling Point320.00 to 321.00 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility144500 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP0.152 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
Water Solubility109 g/LALOGPS
logP-2.5ALOGPS
logP-3.3ChemAxon
logS-0.25ALOGPS
pKa (Strongest Acidic)1.56ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity42.91 m³·mol⁻¹ChemAxon
Polarizability14.64 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0003966
DrugBank IDDB11142
Phenol Explorer Compound IDNot Available
FoodDB IDFDB012156
KNApSAcK IDC00034233
Chemspider ID94765
KEGG Compound IDC05335
BioCyc IDSELENOMETHIONINE
BiGG IDNot Available
Wikipedia LinkSelenomethionine
METLIN IDNot Available
PubChem Compound105024
PDB IDNot Available
ChEBI ID30021
Good Scents IDrw1062951
References
General References
  1. Greenwald P, Milner JA, Anderson DE, McDonald SS: Micronutrients in cancer chemoprevention. Cancer Metastasis Rev. 2002;21(3-4):217-30. [PubMed:12549762 ]
  2. Pointner H, Kinast H, Flegel U: 75Se-selenomethionine excretion in bile and pancreatic juice. Digestion. 1975;12(1):61-4. [PubMed:1175867 ]
  3. Seo YR, Sweeney C, Smith ML: Selenomethionine induction of DNA repair response in human fibroblasts. Oncogene. 2002 May 23;21(23):3663-9. [PubMed:12032834 ]
  4. Yang X, Tian Y, Ha P, Gu L: [Determination of the selenomethionine content in grain and human blood]. Wei Sheng Yan Jiu. 1997 Mar;26(2):113-6. [PubMed:10325615 ]
  5. Hoang TT, Chen Y, May SW, Browner RF: Analysis of organoselenium compounds in human urine using active carbon and chemically modified silica sol-gel surface-assisted laser desorption/ionization high-resolution time-of-flight mass spectrometry. Anal Chem. 2004 Apr 1;76(7):2062-70. [PubMed:15053672 ]
  6. Dorea JG: Selenium and breast-feeding. Br J Nutr. 2002 Nov;88(5):443-61. [PubMed:12425725 ]
  7. Wally J, Halbrooks PJ, Vonrhein C, Rould MA, Everse SJ, Mason AB, Buchanan SK: The crystal structure of iron-free human serum transferrin provides insight into inter-lobe communication and receptor binding. J Biol Chem. 2006 Aug 25;281(34):24934-44. Epub 2006 Jun 22. [PubMed:16793765 ]
  8. Cabanero AI, Madrid Y, Camara C: Selenium long-term administration and its effect on mercury toxicity. J Agric Food Chem. 2006 Jun 14;54(12):4461-8. [PubMed:16756381 ]
  9. Wan XS, Zhou Z, Kennedy AR, Kopelovich L: In vitro evaluation of chemopreventive agents using cultured human prostate epithelial cells. Oncol Rep. 2003 Nov-Dec;10(6):2009-14. [PubMed:14534735 ]
  10. Nakanishi F, Kasuga T, Kobayashi T, Miyabayashi H, Yano K: [Method of analysis of regional dynamics of the pancreas with 75Se-selenomethionine]. Kaku Igaku. 1977 Apr;14(2):223-32. [PubMed:559835 ]
  11. Agnew JE, McCarthy DM, Melmed RNBOUCHIER IA: Count rate analysis as an adjunct to the 75Se-selenomethionine pancreas scan. Br J Radiol. 1969 Oct;42(502):762-9. [PubMed:5345341 ]
  12. Kuehnelt D, Kienzl N, Traar P, Le NH, Francesconi KA, Ochi T: Selenium metabolites in human urine after ingestion of selenite, L-selenomethionine, or DL-selenomethionine: a quantitative case study by HPLC/ICPMS. Anal Bioanal Chem. 2005 Sep;383(2):235-46. Epub 2005 Oct 12. [PubMed:16132136 ]
  13. Whanger PD: Selenium and its relationship to cancer: an update. Br J Nutr. 2004 Jan;91(1):11-28. [PubMed:14748935 ]