Marvin  11281213032D          

 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  3  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  5  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  5  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  CHG  3   2   1  18  -1  21  -1
M  END
> <ID>
CHEBI:71265

> <NAME>
glutathioselenol(1-)

> <DEFINITION>
An carboxylic acid anion resulting from the deprotonation of both carboxy groups and the protonation of the primary amino group of glutathione. The major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
L-gamma-glutamyl-S-selanyl-L-cysteinylglycine(1-); glutathioselenol

> <IUPAC_NAME>
(2S)-2-ammonio-5-{[(2R)-1-[(carboxylatomethyl)amino]-1-oxo-3-(selanylsulfanyl)propan-2-yl]amino}-5-oxopentanoate

> <FORMULA>
C10H16N3O6SSe

> <MASS>
385.28000

> <MONOISOTOPIC_MASS>
385.99305

> <CHARGE>
-1

> <SMILES>
[NH3+][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)/p-1/t5-,6-/m0/s1

> <INCHIKEY>
UUYVRXVWXDDDGX-WDSKDSINSA-M

> <METACYC_ACCESSION>
CPD-13909

> <PUBMED_CITATION>
235962; 9850565

$$$$