Ketcher 08111615452D 1   1.00000     0.00000     0

 11 10  0     0  0            999 V2000
   11.4036   -3.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2696   -4.4673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8677   -3.9674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7338   -4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0017   -4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6000   -3.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1357   -3.9674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4659   -4.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7338   -5.4671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6000   -2.9670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2696   -5.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  2 11  2  0     0  0
  3  4  1  0     0  0
  4  9  1  0     0  0
  3  5  1  0     0  0
  4  6  1  0     0  0
  6 10  2  0     0  0
  7  2  1  0     0  0
  5  7  1  0     0  0
  6  8  1  0     0  0
M  CHG  2   8  -1   9   1
M  END
> <ID>
CHEBI:132989

> <NAME>
O-acetylhomoserine zwitterion

> <DEFINITION>
An α-amino acid zwitterion that is O-acetylhomoserine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.

> <STAR>
3

> <IUPAC_NAME>
4-(acetyloxy)-2-azaniumylbutanoate

> <FORMULA>
C6H11NO4

> <MASS>
161.156

> <MONOISOTOPIC_MASS>
161.06881

> <CHARGE>
0

> <SMILES>
CC(=O)OCCC([NH3+])C(=O)[O-]

> <INCHI>
InChI=1S/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)

> <INCHIKEY>
FCXZBWSIAGGPCB-UHFFFAOYSA-N

$$$$