(2S)-2-azaniumyl-4-[(3-carboxylatopropanoyl)oxy]butanoate
  Marvin  08171014332D          

 15 14  0  0  0  0            999 V2000
   11.2386   -8.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9523   -7.7478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5249   -7.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2386   -8.9853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6698   -8.1578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8075   -8.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3835   -7.7478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0945   -7.7492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0971   -8.1578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0988   -6.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8146   -7.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1009   -8.9853    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.5283   -8.1578    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   14.8146   -6.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800   -8.1617    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  1  0  0  0
 11 13  1  0  0  0  0
 11 14  2  0  0  0  0
  8 15  1  0  0  0  0
M  CHG  3  12   1  13  -1  15  -1
M  END
> <ID>
CHEBI:57661

> <NAME>
O-succinyl-L-homoserinate(1-)

> <DEFINITION>
An α-amino-acid anion that is the conjugate base of O-succinyl-L-homoserine having anionic carboxy groups and a protonated amino group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
O-succinyl-L-homoserine; O-succinyl-L-homoserinate anion; (2S)-2-ammonio-4-[(3-carboxylatopropanoyl)oxy]butanoate

> <IUPAC_NAME>
(2S)-2-azaniumyl-4-[(3-carboxylatopropanoyl)oxy]butanoate

> <FORMULA>
C8H12NO6

> <MASS>
218.18400

> <MONOISOTOPIC_MASS>
218.06701

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)/p-1/t5-/m0/s1

> <INCHIKEY>
GNISQJGXJIDKDJ-YFKPBYRVSA-M

> <METACYC_ACCESSION>
O-SUCCINYL-L-HOMOSERINE

$$$$