Marvin  05281310082D          

 14 13  0  0  0  0            999 V2000
    3.5512    0.1768    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8367    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1223    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933    0.1768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0212    0.5893    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4501    0.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1646    0.1768    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.8367    1.4143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -0.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4078   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0212   -1.0607    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7356   -0.6482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  6  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  2 10  2  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
  7 14  2  0  0  0  0
M  CHG  3   1  -1   9   1  13  -1
M  END
> <ID>
CHEBI:73784

> <NAME>
Gly-Glu(1-)

> <DEFINITION>
A peptide anion that is the conjugate base of Gly-Glu, obtained by deprotonation of the terminal and side-chain carboxy groups and protonation of the terminal amino group.

> <STAR>
3

> <SYNONYM>
glycyl-L-glutamic acid(1-); glycyl-L-glutamate(1-); glycyl-L-glutamate; Gly-L-Glu(1-); GE(1-); (2S)-2-[(ammonioacetyl)amino]pentanedioate

> <IUPAC_NAME>
(2S)-2-[(azaniumylacetyl)amino]pentanedioate

> <FORMULA>
C7H11N2O5

> <MASS>
203.17260

> <MONOISOTOPIC_MASS>
203.06735

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)/p-1/t4-/m0/s1

> <INCHIKEY>
IEFJWDNGDZAYNZ-BYPYZUCNSA-M

> <REAXYS_REGISTRY_NUMBER>
6779397

> <METACYC_ACCESSION>
CPD-3569

$$$$