Marvin  11150616572D          

 11 10  0  0  0  0            999 V2000
   -2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5006   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 11  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  1  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6 10  2  0  0  0  0
  7  2  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <ID>
CHEBI:16288

> <NAME>
O-acetyl-L-homoserine

> <DEFINITION>
The O-acetyl derivative of L-homoserine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7667; CHEBI:12709; CHEBI:12684; CHEBI:21937

> <SYNONYM>
O-Acetylhomoserine; O-Acetyl-L-homoserine

> <IUPAC_NAME>
(2S)-4-(acetyloxy)-2-aminobutanoic acid

> <FORMULA>
C6H11NO4

> <MASS>
161.15588

> <MONOISOTOPIC_MASS>
161.06881

> <CHARGE>
0

> <SMILES>
CC(=O)OCC[C@H](N)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)/t5-/m0/s1

> <INCHIKEY>
FCXZBWSIAGGPCB-YFKPBYRVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1724342

> <CAS_REGISTRY_NUMBER>
7540-67-2

> <KEGG_COMPOUND_ACCESSION>
C01077

> <KNAPSACK_ACCESSION>
C00019570

> <METACYC_ACCESSION>
CPD-667

$$$$