Marvin  11281212292D          

 21 20  0  0  1  0            999 V2000
    7.7597  -14.3098    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
   12.0468  -11.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0468  -11.8346    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3324  -12.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6178  -11.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9034  -12.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9034  -13.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1889  -11.8346    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4743  -12.2470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4743  -13.0721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7597  -13.4847    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599  -11.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7599  -11.0093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0454  -12.2470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3308  -11.8344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6162  -12.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6162  -13.0719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9018  -11.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614  -12.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7614  -13.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4758  -11.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  1  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 11  1  1  0  0  0  0
M  END
> <ID>
CHEBI:64729

> <NAME>
glutathioselenol

> <DEFINITION>
A glutathione derivative that is glutathione in which the hydrogen attached to the sulfur is replaced by a selenol group.

> <STAR>
3

> <SYNONYM>
GSSeH

> <IUPAC_NAME>
L-gamma-glutamyl-S-selanyl-L-cysteinylglycine

> <FORMULA>
C10H17N3O6SSe

> <MASS>
386.28000

> <MONOISOTOPIC_MASS>
387.00033

> <CHARGE>
0

> <SMILES>
N[C@@H](CCC(=O)N[C@@H](CS[SeH])C(=O)NCC(O)=O)C(O)=O

> <INCHI>
InChI=1S/C10H17N3O6SSe/c11-5(10(18)19)1-2-7(14)13-6(4-20-21)9(17)12-3-8(15)16/h5-6,21H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1

> <INCHIKEY>
UUYVRXVWXDDDGX-WDSKDSINSA-N

> <REAXYS_REGISTRY_NUMBER>
22540004

> <KEGG_COMPOUND_ACCESSION>
C18871

> <METACYC_ACCESSION>
CPD-13909

> <PUBMED_CITATION>
235962; 9850565

$$$$