Marvin  06071314222D          

 12 12  0  0  0  0            999 V2000
    0.6675   -0.4849    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -1.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -1.2695    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8250   -1.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -2.6984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.4129    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.6984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  8  1  1  0  0  0  0
  3  4  1  0  0  0  0
  8  2  1  0  0  0  0
  8  5  1  1  0  0  0
  2  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  4  9  1  6  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
M  CHG  3   1   1   7  -1  11  -1
M  END
> <ID>
CHEBI:73962

> <NAME>
(5S)-5-(carboxymethyl)-L-proline(1-)

> <DEFINITION>
An α-amino-acid anion that is the conjugate base of (2S,5S)-5-carboxymethylproline, obtained by deprotonation of the two carboxy groups and protonation of the endocyclic amino group.

> <STAR>
3

> <SYNONYM>
(2S,5S)-5-carboxymethylproline(1-); (2S,5S)-5-carboxymethylproline

> <IUPAC_NAME>
(2S,5S)-5-(carboxylatomethyl)pyrrolidinium-2-carboxylate

> <FORMULA>
C7H10NO4

> <MASS>
172.15860

> <MONOISOTOPIC_MASS>
172.06153

> <CHARGE>
-1

> <SMILES>
[O-]C(=O)C[C@@H]1CC[C@H]([NH2+]1)C([O-])=O

> <INCHI>
InChI=1S/C7H11NO4/c9-6(10)3-4-1-2-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)/p-1/t4-,5-/m0/s1

> <INCHIKEY>
LIZWYFXJOOUDNV-WHFBIAKZSA-M

> <PUBMED_CITATION>
16096274; 18972478

$$$$