Ketcher 05091711272D 1   1.00000     0.00000     0

 16 15  0     0  0            999 V2000
   -5.3902   -5.4214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3902   -6.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5242   -6.9213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2564   -6.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2564   -7.9214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1223   -6.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8544   -6.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8544   -5.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7204   -6.9213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9883   -6.9214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1223   -8.4214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1223   -9.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2564   -9.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3902   -9.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2564  -10.9215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9883   -9.9215    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  2  3  1  0     0  0
  4  2  1  0     0  0
  4  5  1  1     0  0
  6  4  1  0     0  0
  8  7  2  0     0  0
  9  7  1  0     0  0
 10  7  1  0     0  0
  6 10  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  5 11  1  0     0  0
 13 15  2  0     0  0
 12 16  1  1     0  0
M  CHG  4   3  -1   5   1   9  -1  14  -1
M  END
> <ID>
CHEBI:134610

> <NAME>
N-[(2S)-2-amino-2-carboxyethyl]-L-glutamate(2-)

> <DEFINITION>
A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the secondary amino group of N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

> <STAR>
3

> <SYNONYM>
N-[(2S)-2-amino-2-carboxyethyl]-L-glutamate

> <IUPAC_NAME>
(2S)-2-{[(2S)-2-amino-2-carboxylatoethyl]azaniumyl}pentanedioate

> <FORMULA>
C8H12N2O6

> <MASS>
232.191

> <MONOISOTOPIC_MASS>
232.07063

> <CHARGE>
-2

> <SMILES>
O=C([O-])[C@@H]([NH2+]C[C@@H](C([O-])=O)N)CCC(=O)[O-]

> <INCHI>
InChI=1S/C8H14N2O6/c9-4(7(13)14)3-10-5(8(15)16)1-2-6(11)12/h4-5,10H,1-3,9H2,(H,11,12)(H,13,14)(H,15,16)/p-2/t4-,5-/m0/s1

> <INCHIKEY>
XYQHCOGLGSNTNV-WHFBIAKZSA-L

> <METACYC_ACCESSION>
CPD-19754

> <PUBMED_CITATION>
21906287; 24485762

$$$$