Ketcher 11211915262D 1   1.00000     0.00000     0

  8  7  0     0  0            999 V2000
   -0.4330    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.2499    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    0.2501    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -0.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.2499    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  2  7  1  1     0  0
  1  3  1  0     0  0
  3  4  1  0     0  0
  2  5  1  0     0  0
  5  8  2  0     0  0
  5  6  1  0     0  0
M  END
> <ID>
CHEBI:28839

> <NAME>
3-disulfanyl-L-alanine

> <DEFINITION>
An S-substituted L-cysteine where the S-substituent is specified as sulfanyl.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41743; CHEBI:41628; CHEBI:41711; CHEBI:41718; CHEBI:9551; CHEBI:21269

> <SYNONYM>
thiocysteine; Thiocysteine; S-sulfanylcysteine; cysteine perthiol; cysteine persulfide; 3-(thiosulfeno)-alanine; 2-amino-3-persulfhydrylpropanoic acid; 2-amino-3-hydropersulfidopropanoic acid; 2-amino-3-hydrodisulfidopropanoic acid; 2-amino-3-disulfanylpropanoic acid; (R)-2-amino-3-disulfanylpropanoic acid

> <IUPAC_NAME>
3-disulfanyl-L-alanine

> <FORMULA>
C3H7NO2S2

> <MASS>
153.210

> <MONOISOTOPIC_MASS>
152.99182

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

> <INCHIKEY>
XBKONSCREBSMCS-REOHCLBHSA-N

> <CAS_REGISTRY_NUMBER>
5652-32-4

> <REAXYS_REGISTRY_NUMBER>
6381723

> <CHEMIDPLUS>
5652-32-4

> <DRUGBANK_ACCESSION>
DB02761

> <KEGG_COMPOUND_ACCESSION>
C01962

> <PDBECHEM_ACCESSION>
CSS

> <PUBMED_CITATION>
10753862; 10760256; 12382038; 12386155; 12686149; 14644425; 16855700; 9099686; 9867829

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