1M19_BAL_I_1970
  RCSB PDB12061703143D
Coordinates from PDB:1M19:I:1970 Model:1 without hydrogens
  5  4  0  0  0  0            999 V2000
   22.6960   37.1070   86.1020   N 0  0  0  0  0  0  0  0  0  0  0  0
   22.3380   37.6900   84.8060   C 0  0  0  0  0  0  0  0  0  0  0  0
   20.8250   37.6760   84.5990   C 0  0  0  0  0  0  0  0  0  0  0  0
   20.3680   38.2030   83.2450   C 0  0  0  0  0  0  0  0  0  0  0  0
   19.6910   39.2330   83.2340   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  2  0  0  0  0
A    1
N
A    2
CB
A    3
CA
A    4
C
A    5
O
M  END
>  <InstanceId>
1M19_BAL_I_1970

>  <ChemCompId>
BAL

>  <PdbId>
1M19

>  <ChainId>
I

>  <ResidueNumber>
1970

>  <InsertionCode>


>  <Model>
1

>  <AltIds>


>  <MissingHeavyAtoms>
1

>  <ObservedFormula>
C3 N O

>  <Name>
BETA-ALANINE

>  <SystematicName>
3-azanylpropanoic acid

>  <Synonyms>


>  <Type>
peptide-like

>  <Formula>
C3 H7 N O2

>  <MolecularWeight>
89.093

>  <ModifiedDate>
2011-06-04

>  <Parent>


>  <OneLetterCode>


>  <SubcomponentList>


>  <AmbiguousFlag>
N

>  <InChI>
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)

>  <InChIKey>
UCMIRNVEIXFBKS-UHFFFAOYSA-N

>  <SMILES>
C(CN)C(=O)O

$$$$
