ISISHOST03240423132D 1   1.00000     0.00000  5154

  6  5  0     0  0            999 V2000
   -0.1276    0.2000    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.8207   -0.2379    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6034   -0.1828    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1621    1.0310    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.7931   -1.0655    0.0000 N   0  0  0  0  0  0           0  0  0
    1.3000    0.2552    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  6     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
M  END
> <ID>
CHEBI:1456

> <NAME>
3-aminopropane-1,2-diol

> <STAR>
2

> <SYNONYM>
3-Aminopropane-1,2-diol

> <FORMULA>
C3H9NO2

> <MASS>
91.109

> <MONOISOTOPIC_MASS>
91.06333

> <CHARGE>
0

> <SMILES>
NC[C@H](O)CO

> <INCHI>
InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2/t3-/m0/s1

> <INCHIKEY>
KQIGMPWTAHJUMN-VKHMYHEASA-N

> <KEGG_COMPOUND_ACCESSION>
C06057

$$$$