Ketcher 04262210292D 1   1.00000     0.00000     0

 13 12  0     1  0            999 V2000
   12.8528   -7.5363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5849   -7.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5849   -6.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7190   -8.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4509   -8.0363    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830   -8.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830   -9.0362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3169   -7.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0489   -7.5363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3169   -6.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830   -6.0363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1830   -5.0363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0490   -6.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  2  0     0  0
  4  2  1  0     0  0
  5  2  1  0     0  0
  4  1  1  0     0  0
  7  6  2  0     0  0
  8  6  1  0     0  0
  9  6  1  0     0  0
  8  5  1  1     0  0
 10  8  1  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 11 13  1  0     0  0
M  CHG  3   1   1   9  -1  13  -1
M  END
> <ID>
CHEBI:191204

> <NAME>
Gly-Asp(1-)

> <DEFINITION>
A peptide anion obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group of Gly-Asp; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
glycyl-L-aspartic acid(1-); glycyl-L-aspartic acid anion; glycyl-L-aspartate(1-); glycyl-L-aspartate; Gly-L-Asp(1-); GD(1-)

> <IUPAC_NAME>
(2S)-2-(2-azaniumylacetamido)butanedioate

> <FORMULA>
C6H9N2O5

> <MASS>
189.148

> <MONOISOTOPIC_MASS>
189.05169

> <CHARGE>
-1

> <SMILES>
[NH3+]CC(=O)N[C@@H](CC([O-])=O)C([O-])=O

> <INCHI>
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p-1/t3-/m0/s1

> <INCHIKEY>
SCCPDJAQCXWPTF-VKHMYHEASA-M

> <METACYC_ACCESSION>
CPD-13406

> <PUBMED_CITATION>
12082113

$$$$