Ketcher 08091816172D 1   1.00000     0.00000     0

 14 13  0     1  0            999 V2000
   11.9453   -8.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9442   -9.2421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0797   -7.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8120   -7.7430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2131   -8.2402    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0808   -6.7413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5439   -7.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5449   -6.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6773   -8.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4095   -8.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6764   -9.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8098   -9.7430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5417   -9.7447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2153   -6.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0     0  0
  3  1  1  0     0  0
  4  1  1  0     0  0
  3  5  1  1     0  0
  6  3  1  0     0  0
  8  7  2  0     0  0
  9  7  1  0     0  0
 10  7  1  0     0  0
  9  4  1  6     0  0
 11  9  1  0     0  0
 11 12  1  0     0  0
 11 13  1  6     0  0
  6 14  1  0     0  0
M  END
> <ID>
CHEBI:141393

> <NAME>
Ser-Thr

> <DEFINITION>
A dipeptide obtained by formal condensation of the carboxy group of L-serine with the amino group of L-threonine.

> <STAR>
3

> <SYNONYM>
ST dipeptide; ST; serinylthreonine; serine threonine dipeptide; S-T dipeptide; S-T; L-Ser-L-Thr; H-Ser-Thr-OH; (2S,3R)-2-{[(2S)-2-amino-3-hydroxypropanoyl]amino}-3-hydroxybutanoic acid

> <IUPAC_NAME>
L-seryl-L-threonine

> <FORMULA>
C7H14N2O5

> <MASS>
206.197

> <MONOISOTOPIC_MASS>
206.09027

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1

> <INCHIKEY>
LDEBVRIURYMKQS-WISUUJSJSA-N

> <REAXYS_REGISTRY_NUMBER>
27312726

$$$$