Marvin  05160821462D          

  7  6  0  0  0  0            999 V2000
   -0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1650    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7145    0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.1650    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.9900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  7  2  1  0  0  0  0
  2  3  1  0  0  0  0
  6  3  2  0  0  0  0
  4  3  1  0  0  0  0
  5  1  1  0  0  0  0
M  CHG  1   4  -1
M  END
> <ID>
CHEBI:49983

> <NAME>
3-aminoalaninate

> <STAR>
3

> <IUPAC_NAME>
3-aminoalaninate; 2,3-diaminopropanoate

> <FORMULA>
C3H7N2O2

> <MASS>
103.09996

> <MONOISOTOPIC_MASS>
103.05130

> <CHARGE>
-1

> <SMILES>
NCC(N)C([O-])=O

> <INCHI>
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/p-1

> <INCHIKEY>
PECYZEOJVXMISF-UHFFFAOYSA-M

$$$$