Marvin  07191312152D          

 12 11  0  0  1  0            999 V2000
   11.5303   -7.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5303   -8.1593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8159   -6.9219    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.2447   -6.9219    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1013   -7.3343    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8159   -6.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6737   -6.9219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6737   -6.0967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9592   -7.3343    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.3881   -7.3343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9592   -8.1593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1013   -5.6843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  1  0  0  0
  6  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
  9  4  1  6  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
> <ID>
CHEBI:74801

> <NAME>
Ser-Ala

> <DEFINITION>
A dipeptide formed from L-serine and L-alanine residues.

> <STAR>
3

> <SYNONYM>
serylalanine; Serinyl-Alanine; SA; L-Ser-L-Ala

> <IUPAC_NAME>
L-seryl-L-alanine

> <FORMULA>
C6H12N2O4

> <MASS>
176.17050

> <MONOISOTOPIC_MASS>
176.07971

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H12N2O4/c1-3(6(11)12)8-5(10)4(7)2-9/h3-4,9H,2,7H2,1H3,(H,8,10)(H,11,12)/t3-,4-/m0/s1

> <INCHIKEY>
SSJMZMUVNKEENT-IMJSIDKUSA-N

> <REAXYS_REGISTRY_NUMBER>
1725823

$$$$