ChEBI


  7  6  0  0  0  0  0  0  0  0  2 V2000
   16.6473  -42.6791    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6473  -41.3489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7993  -40.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7993  -39.3537    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   19.1295  -39.3537    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   16.4691  -39.3537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7993  -38.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  4  2  0  0  0  0
M  CHG  1   5  -1
M  END
> <ID>
CHEBI:32970

> <NAME>
2-aminoethanesulfonate

> <DEFINITION>
A 1,1-diunsubstituted alkanesulfonate that is ethanesulfonate substituted by an amino group at position 2.

> <STAR>
3

> <IUPAC_NAME>
2-aminoethanesulfonate

> <FORMULA>
C2H6NO3S

> <MASS>
124.13998

> <MONOISOTOPIC_MASS>
124.00739

> <CHARGE>
-1

> <SMILES>
NCCS([O-])(=O)=O

> <INCHI>
InChI=1S/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)/p-1

> <INCHIKEY>
XOAAWQZATWQOTB-UHFFFAOYSA-M

> <BEILSTEIN_REGISTRY_NUMBER>
3588289

> <REAXYS_REGISTRY_NUMBER>
3588289

$$$$