Ketcher 09191910092D 1   1.00000     0.00000     0

 17 16  0     0  0            999 V2000
    8.7090   -8.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8442   -9.3303    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5655   -9.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7047   -7.8317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -8.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4304   -8.8249    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    9.5911   -7.2965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8398   -7.3350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1143   -9.3347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9792   -7.8361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2579   -8.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930   -9.3432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280   -8.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3930  -10.3409    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5280   -7.8445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -9.3473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2952   -9.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  5 10  2  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 12 14  1  0     0  0
 13 15  2  0     0  0
 13 16  1  0     0  0
  6 17  1  0     0  0
M  END
> <ID>
CHEBI:28776

> <NAME>
gamma-glutamyl-Se-methylselenocysteine

> <DEFINITION>
A dipeptide obtained by formal condensation of the γ-carboxy group of glutamic acid with the amino group of Se-methylselenocysteine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10563; CHEBI:24191

> <SYNONYM>
gamma-glutamyl-SeMC; gamma-glutamyl-Se-methylselenocysteine; 5-glutamyl-Se-methylselenocysteine

> <IUPAC_NAME>
gamma-glutamyl-3-(methylselanyl)alanine

> <FORMULA>
C9H16N2O5Se

> <MASS>
311.207

> <MONOISOTOPIC_MASS>
312.02244

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H16N2O5Se/c1-17-4-6(9(15)16)11-7(12)3-2-5(10)8(13)14/h5-6H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)

> <INCHIKEY>
IEFQLTYCECVOLL-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C05695

> <PUBMED_CITATION>
10888499; 11306469; 14745183; 16161771; 16435092; 18320173; 20005330; 9570912

$$$$