Np mrd loader

Showing NP-Card for Selenocystine (NP0000448)

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Record Information
Version1.0
Created at2006-08-13 11:37:22 UTC
Updated at2021-06-29 00:47:52 UTC
NP-MRD IDNP0000448
Secondary Accession NumbersNone
Natural Product Identification
Common NameSelenocystine
DescriptionSelenocystine belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). In the newer R/S system of designating chirality, based on the atomic numbers of atoms near the asymmetric carbon, they have R chirality, because of the presence of sulfur or selenium as a second neighbor to the asymmetric carbon. In humans, selenocystine is involved in selenoamino acid metabolism. When cells are grown in the absence of selenium, translation of selenoproteins terminates at the UGA codon, resulting in a truncated, nonfunctional enzyme. Instead, cells store selenium in the less reactive oxidized form, selenocystine, or in methylated form, selenomethionine. Unlike other amino acids present in biological proteins, selenocysteine is not coded for directly in the genetic code. Rather, the tRNA-bound seryl residue is converted to a selenocysteine residue by the pyridoxal phosphate-containing enzyme selenocysteine synthase.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000448 (Selenocystine)


  Mrv1652305271900292D          

 14 13  0  0  0  0            999 V2000
   24.1493  -10.0996    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   24.1493  -10.9246    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   22.7203  -13.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2928   -8.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5782   -7.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0058  -12.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1493  -12.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1493   -8.4496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8638   -8.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4349  -12.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4349  -11.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8638   -9.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7203  -12.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5782   -8.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
Download

3D MOL for NP0000448 (Selenocystine)

HMDB0004122
     RDKit          3D
Selenocystine
 26 25  0  0  0  0  0  0  0  0999 V2000
   -4.3838   -0.7762    0.5375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3429   -0.4867   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774   -1.2218   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.7937   -1.3644 Se  0  0  0  0  0  2  0  0  0  0  0  0
    0.7670    0.7866   -0.3777 Se  0  0  0  0  0  2  0  0  0  0  0  0
    1.8981   -0.1087    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2770   -0.2439    0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864   -1.0243   -0.8872 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835    1.1315   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985    1.4096   -1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410    2.1191    0.8595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0351    0.9623   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6546    1.7245    0.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    1.5136   -1.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873   -0.1337    0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420   -1.7862    0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6774   -0.7800   -1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -0.9820    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -2.3096   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411   -1.1452    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9509    0.4982    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088   -0.6759    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3779   -2.0042   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -0.5516   -1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    2.8478    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    2.0303   -2.0513 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
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
 11 25  1  0
 14 26  1  0
M  END
Download

3D SDF for NP0000448 (Selenocystine)


  Mrv1652305271900292D          

 14 13  0  0  0  0            999 V2000
   24.1493  -10.0996    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   24.1493  -10.9246    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   22.7203  -13.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.2928   -8.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.5782   -7.6246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0058  -12.1622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1493  -12.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1493   -8.4496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.8638   -8.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4349  -12.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4349  -11.3371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8638   -9.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7203  -12.5747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5782   -8.4496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  2  0  0  0  0
  6 13  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0000448

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)

> <INCHI_KEY>
JULROCUWKLNBSN-UHFFFAOYSA-N

> <FORMULA>
C6H12N2O4Se2

> <MOLECULAR_WEIGHT>
334.09

> <EXACT_MASS>
335.912750538

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
20.493431428586653

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid

> <ALOGPS_LOGP>
-3.93

> <JCHEM_LOGP>
-7.88109843730785

> <ALOGPS_LOGS>
-0.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.3154781905182107

> <JCHEM_PKA_STRONGEST_ACIDIC>
0.6364923238998816

> <JCHEM_PKA_STRONGEST_BASIC>
8.614569777834829

> <JCHEM_POLAR_SURFACE_AREA>
126.63999999999999

> <JCHEM_REFRACTIVITY>
65.5146

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.07e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
selenocystine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000448 (Selenocystine)

HMDB0004122
     RDKit          3D
Selenocystine
 26 25  0  0  0  0  0  0  0  0999 V2000
   -4.3838   -0.7762    0.5375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3429   -0.4867   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0774   -1.2218   -0.0312 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7156   -0.7937   -1.3644 Se  0  0  0  0  0  2  0  0  0  0  0  0
    0.7670    0.7866   -0.3777 Se  0  0  0  0  0  2  0  0  0  0  0  0
    1.8981   -0.1087    0.9521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2770   -0.2439    0.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0864   -1.0243   -0.8872 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835    1.1315   -0.0784 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7985    1.4096   -1.2948 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410    2.1191    0.8595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0351    0.9623   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6546    1.7245    0.3896 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0621    1.5136   -1.2364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1873   -0.1337    0.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6420   -1.7862    0.4891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6774   -0.7800   -1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7670   -0.9820    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2867   -2.3096   -0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5411   -1.1452    1.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9509    0.4982    1.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0088   -0.6759    1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3779   -2.0042   -0.8257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490   -0.5516   -1.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044    2.8478    0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3517    2.0303   -2.0513 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
  7  9  1  0
  9 10  2  0
  9 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  3 18  1  0
  3 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
 11 25  1  0
 14 26  1  0
M  END
Download

PDB for NP0000448 (Selenocystine)

HEADER    PROTEIN                                 27-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-19         0                                  
HETATM    1 Se   UNK     0      45.079 -18.853   0.000  0.00  0.00          Se+0
HETATM    2 Se   UNK     0      45.079 -20.393   0.000  0.00  0.00          Se+0
HETATM    3  O   UNK     0      42.411 -25.013   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0      49.080 -16.543   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      47.746 -14.233   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      41.077 -22.703   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      45.079 -23.473   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      45.079 -15.773   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      46.412 -16.543   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      43.745 -22.703   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      43.745 -21.163   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      46.412 -18.083   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      42.411 -23.473   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      47.746 -15.773   0.000  0.00  0.00           C+0
CONECT    1    2   12                                                       
CONECT    2    1   11                                                       
CONECT    3   13                                                            
CONECT    4   14                                                            
CONECT    5   14                                                            
CONECT    6   13                                                            
CONECT    7   10                                                            
CONECT    8    9                                                            
CONECT    9    8   12   14                                                  
CONECT   10    7   11   13                                                  
CONECT   11    2   10                                                       
CONECT   12    1    9                                                       
CONECT   13    3    6   10                                                  
CONECT   14    4    5    9                                                  
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
Download

3D PDB for NP0000448 (Selenocystine)

COMPND    HMDB0004122
HETATM    1  N1  UNL     1      -4.384  -0.776   0.538  1.00  0.00           N  
HETATM    2  C1  UNL     1      -3.343  -0.487  -0.427  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.077  -1.222  -0.031  1.00  0.00           C  
HETATM    4 SE1  UNL     1      -0.716  -0.794  -1.364  1.00  0.00          SE  
HETATM    5 SE2  UNL     1       0.767   0.787  -0.378  1.00  0.00          SE  
HETATM    6  C3  UNL     1       1.898  -0.109   0.952  1.00  0.00           C  
HETATM    7  C4  UNL     1       3.277  -0.244   0.289  1.00  0.00           C  
HETATM    8  N2  UNL     1       3.086  -1.024  -0.887  1.00  0.00           N  
HETATM    9  C5  UNL     1       3.684   1.132  -0.078  1.00  0.00           C  
HETATM   10  O1  UNL     1       3.798   1.410  -1.295  1.00  0.00           O  
HETATM   11  O2  UNL     1       3.941   2.119   0.859  1.00  0.00           O  
HETATM   12  C6  UNL     1      -3.035   0.962  -0.399  1.00  0.00           C  
HETATM   13  O3  UNL     1      -3.655   1.725   0.390  1.00  0.00           O  
HETATM   14  O4  UNL     1      -2.062   1.514  -1.236  1.00  0.00           O  
HETATM   15  H1  UNL     1      -5.187  -0.134   0.349  1.00  0.00           H  
HETATM   16  H2  UNL     1      -4.642  -1.786   0.489  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.677  -0.780  -1.443  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.767  -0.982   0.983  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.287  -2.310  -0.076  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.541  -1.145   1.129  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.951   0.498   1.872  1.00  0.00           H  
HETATM   22  H8  UNL     1       4.009  -0.676   1.002  1.00  0.00           H  
HETATM   23  H9  UNL     1       3.378  -2.004  -0.826  1.00  0.00           H  
HETATM   24  H10 UNL     1       3.249  -0.552  -1.780  1.00  0.00           H  
HETATM   25  H11 UNL     1       4.604   2.848   0.627  1.00  0.00           H  
HETATM   26  H12 UNL     1      -2.352   2.030  -2.051  1.00  0.00           H  
CONECT    1    2   15   16
CONECT    2    3   12   17
CONECT    3    4   18   19
CONECT    4    5
CONECT    5    6
CONECT    6    7   20   21
CONECT    7    8    9   22
CONECT    8   23   24
CONECT    9   10   10   11
CONECT   11   25
CONECT   12   13   13   14
CONECT   14   26
END
Download

SMILES for NP0000448 (Selenocystine)

NC(C[Se][Se]CC(N)C(O)=O)C(O)=O
Download

INCHI for NP0000448 (Selenocystine)

InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
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View in JSmol
Synonyms
ValueSource
3,3'-DiselenobisalanineChEBI
3,3'-DiselenodialanineChEBI
Selenocystine, (D)-isomerHMDB
Selenocystine, (DL)-isomerHMDB
Selenocystine, (L)-isomerHMDB
D,L-SelenocystineHMDB
DL-SelenocystineHMDB
Selenium cystineHMDB
Seleno-DL-cystineHMDB
Chemical FormulaC6H12N2O4Se2
Average Mass334.0900 Da
Monoisotopic Mass335.91275 Da
IUPAC Name2-amino-3-[(2-amino-2-carboxyethyl)diselanyl]propanoic acid
Traditional Nameselenocystine
CAS Registry Number1464-43-3
SMILES
NC(C[Se][Se]CC(N)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C6H12N2O4Se2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
InChI KeyJULROCUWKLNBSN-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
Not Available
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 MHz, H2O, simulated)Varshavi.d262021-08-11View Spectrum
Species
Species of Origin
Species NameSourceReference
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
ColumbaFooDB
ColumbidaeFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Dicarboxylic acid or derivatives
  • Diselenide group
  • Amino acid
  • Carboxylic acid
  • Hydrocarbon derivative
  • Primary amine
  • Organoselenium compound
  • Organooxygen compound
  • Organonitrogen compound
  • Primary aliphatic amine
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Organic nitrogen compound
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.2 mg/mL at 25 °CNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility50.7 g/LALOGPS
logP-3.9ALOGPS
logP-7.9ChemAxon
logS-0.82ALOGPS
pKa (Strongest Acidic)0.64ChemAxon
pKa (Strongest Basic)8.61ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area126.64 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity65.51 m³·mol⁻¹ChemAxon
Polarizability20.49 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0004122
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB023316
KNApSAcK IDNot Available
Chemspider ID14376
KEGG Compound IDC05704
BioCyc IDCPD0-1562
BiGG IDNot Available
Wikipedia LinkSelenocysteine
METLIN ID7020
PubChem Compound15104
PDB IDNot Available
ChEBI ID28553
Good Scents IDNot Available
References
General References
  1. Dorea JG: Selenium and breast-feeding. Br J Nutr. 2002 Nov;88(5):443-61. [PubMed:12425725 ]
  2. Tripathi A, Daolio A, Pizzi A, Guo Z, Turner DR, Baggioli A, Famulari A, Deacon GB, Resnati G, Singh HB: Chalcogen Bonds in Selenocysteine Seleninic Acid, a Functional GPx Constituent, and in Other Seleninic or Sulfinic Acid Derivatives. Chem Asian J. 2021 Aug 16;16(16):2351-2360. doi: 10.1002/asia.202100545. Epub 2021 Jul 16. [PubMed:34214252 ]
  3. Feng J, Cao Y, Mo G, Tang L, Deng B: [Selenium speciation in watermelon by g-C3N4 enrichment combined with capillary electrophoresis-inductively coupled plasma-mass spectrometry]. Se Pu. 2020 Oct 8;38(10):1224-1231. doi: 10.3724/SP.J.1123.2020.06015. [PubMed:34213120 ]
  4. Zhou D, Huang H, Yu J, Hu Z: Lysosome-targetable selenium-doped carbon nanodots for in situ scavenging free radicals in living cells and mice. Mikrochim Acta. 2021 Jun 7;188(7):223. doi: 10.1007/s00604-021-04883-1. [PubMed:34097136 ]
  5. Hadrup N, Ravn-Haren G: Absorption, distribution, metabolism and excretion (ADME) of oral selenium from organic and inorganic sources: A review. J Trace Elem Med Biol. 2021 Sep;67:126801. doi: 10.1016/j.jtemb.2021.126801. Epub 2021 Jun 1. [PubMed:34091241 ]
  6. Shimomura T, Hirakawa N, Ohuchi Y, Ishiyama M, Shiga M, Ueno Y: Simple Fluorescence Assay for Cystine Uptake via the xCT in Cells Using Selenocystine and a Fluorescent Probe. ACS Sens. 2021 Jun 25;6(6):2125-2128. doi: 10.1021/acssensors.1c00496. Epub 2021 Jun 3. [PubMed:34080411 ]
  7. Li LL, Wu QZ, Chen JJ, Cui YH, Zhu CM, Li BY, Guo Z, Li WW: Mechanical Insights into Thiol-Mediated Synergetic Biotransformation of Cadmium and Selenium in Nematodes. Environ Sci Technol. 2021 Jun 1;55(11):7531-7540. doi: 10.1021/acs.est.1c00686. Epub 2021 May 11. [PubMed:33974407 ]
  8. Liao X, Rao S, Yu T, Zhu Z, Yang X, Xue H, Gou Y, Cheng S, Xu F: Selenium yeast promoted the Se accumulation, nutrient quality and antioxidant system of cabbage (Brassica oleracea var. capitata L.). Plant Signal Behav. 2021 Jun 3;16(6):1907042. doi: 10.1080/15592324.2021.1907042. Epub 2021 Apr 5. [PubMed:33818289 ]
  9. Krausova G, Kana A, Vecka M, Hyrslova I, Stankova B, Kantorova V, Mrvikova I, Huttl M, Malinska H: In Vivo Bioavailability of Selenium in Selenium-Enriched Streptococcus thermophilus and Enterococcus faecium in CD IGS Rats. Antioxidants (Basel). 2021 Mar 16;10(3). pii: antiox10030463. doi: 10.3390/antiox10030463. [PubMed:33809515 ]
  10. Patel B, Mishra S, Priyadarsini IK, Vavilala SL: Elucidating the anti-biofilm and anti-quorum sensing potential of selenocystine against respiratory tract infections causing bacteria: in vitro and in silico studies. Biol Chem. 2021 Mar 19;402(7):769-783. doi: 10.1515/hsz-2020-0375. Print 2021 Jun 25. [PubMed:33735944 ]
  11. Shi C, Yue F, Shi F, Qin Q, Wang L, Wang G, Mu L, Liu D, Li Y, Yu T, She J: Selenium-Containing Amino Acids Protect Dextran Sulfate Sodium-Induced Colitis via Ameliorating Oxidative Stress and Intestinal Inflammation. J Inflamm Res. 2021 Jan 14;14:85-95. doi: 10.2147/JIR.S288412. eCollection 2021. [PubMed:33488110 ]
  12. Canal-Martin A, Perez-Fernandez R: Biomimetic selenocystine based dynamic combinatorial chemistry for thiol-disulfide exchange. Nat Commun. 2021 Jan 8;12(1):163. doi: 10.1038/s41467-020-20415-6. [PubMed:33420034 ]
  13. Luo W, Wang Y, Lin F, Liu Y, Gu R, Liu W, Xiao C: Selenium-Doped Carbon Quantum Dots Efficiently Ameliorate Secondary Spinal Cord Injury via Scavenging Reactive Oxygen Species. Int J Nanomedicine. 2020 Dec 14;15:10113-10125. doi: 10.2147/IJN.S282985. eCollection 2020. [PubMed:33363370 ]