(2S)-2-azaniumyl-4-[(3-carboxylatopropyl)carbamoyl]butanoate
  Marvin  07011015062D          

 16 15  0  0  0  0            999 V2000
   12.7470   -4.1235    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   11.9749   -3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2623   -4.1235    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9749   -2.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5497   -3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2623   -4.9549    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    9.8371   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1244   -3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119   -4.1235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1244   -2.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6992   -3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9866   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2739   -3.7078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5613   -4.1235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8487   -3.7078    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5613   -4.9549    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
  2  4  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
M  CHG  3   1  -1   6   1  15  -1
M  END
> <ID>
CHEBI:58800

> <NAME>
4-(L-gamma-glutamylamino)butanoate

> <DEFINITION>
Conjugate base of 4-(L-γ-glutamylamino)butanoic acid.

> <STAR>
3

> <SYNONYM>
N(5)-(3-carboxylatopropyl)-L-glutamine; 4-(gamma-L-glutamylamino)butanoate; (2S)-2-azaniumyl-4-[(3-carboxylatopropyl)carbamoyl]butanoate; (2S)-2-ammonio-5-[(3-carboxylatopropyl)amino]-5-oxopentanoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-5-[(3-carboxylatopropyl)amino]-5-oxopentanoate

> <FORMULA>
C9H15N2O5

> <MASS>
231.22580

> <MONOISOTOPIC_MASS>
231.09865

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C9H16N2O5/c10-6(9(15)16)3-4-7(12)11-5-1-2-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/p-1/t6-/m0/s1

> <INCHIKEY>
MKYPKZSGLSOGLL-LURJTMIESA-M

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