Marvin  10040712462D          
 
 11 10  0  0  1  0            999 V2000
   -1.4289    0.1650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1650    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  6  0  0  0
  2  1  1  0  0  0  0
  2  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 10  2  0  0  0  0
  5 11  1  0  0  0  0
  7  9  1  0  0  0  0
M  END
> <ID>
CHEBI:4047

> <NAME>
L-cysteinylglycine

> <DEFINITION>
A dipeptide consisting of glycine having an L-cysteinyl attached to its α-amino group. It is an intermediate metabolite in glutathione metabolism.

> <STAR>
3

> <SYNONYM>
N-L-cysteinylglycine; L-Cysteinylglycine; Cysteinylglycine; Cys-Gly; CG

> <IUPAC_NAME>
L-cysteinylglycine

> <FORMULA>
C5H10N2O3S

> <MASS>
178.21058

> <MONOISOTOPIC_MASS>
178.04121

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)/t3-/m0/s1

> <INCHIKEY>
ZUKPVRWZDMRIEO-VKHMYHEASA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724689

> <CAS_REGISTRY_NUMBER>
19246-18-5

> <GMELIN_REGISTRY_NUMBER>
83158

> <REAXYS_REGISTRY_NUMBER>
1724689

> <CHEMIDPLUS>
19246-18-5

> <ECMDB_ACCESSION>
ECMDB00078

> <KEGG_COMPOUND_ACCESSION>
C01419

> <METACYC_ACCESSION>
CYS-GLY

> <YMDB_ACCESSION>
YMDB00690

> <PUBMED_CITATION>
24500895; 7492739

$$$$