Marvin  10040712232D          

  9  8  0  0  0  0            999 V2000
   -2.1436   -0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1436   -0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7146   -1.0019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    1.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  8  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  2  0  0  0  0
  6  7  1  0  0  0  0
M  END
> <ID>
CHEBI:17201

> <NAME>
glycylglycine

> <DEFINITION>
A dipeptide formed from glycine residues.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:5504; CHEBI:14364; CHEBI:24413

> <SYNONYM>
N-glycylglycine; Glycylglycine; glycine dipeptide; Gly2; Gly-Gly; [(aminoacetyl)amino]acetic acid; 2-(aminoacetamido)acetic acid

> <IUPAC_NAME>
glycylglycine

> <FORMULA>
C4H8N2O3

> <MASS>
132.11800

> <MONOISOTOPIC_MASS>
132.05349

> <CHARGE>
0

> <SMILES>
NCC(=O)NCC(O)=O

> <INCHI>
InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)

> <INCHIKEY>
YMAWOPBAYDPSLA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
556-50-3

> <GMELIN_REGISTRY_NUMBER>
82735

> <REAXYS_REGISTRY_NUMBER>
1765223

> <CHEMIDPLUS>
556-50-3

> <KEGG_COMPOUND_ACCESSION>
C02037

> <METACYC_ACCESSION>
GLYCYLGLYCINE

> <NIST_CHEMISTRY_WEBBOOK>
556-50-3

> <WIKIPEDIA_ACCESSION>
Glycylglycine

> <PUBMED_CITATION>
15283580; 872518

$$$$