Marvin  05231312122D          

 20 21  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6674   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.9195    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4125   -2.9195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -3.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6675   -2.1349    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4644   -1.9214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -3.5869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7224   -3.5869    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7224   -3.5869    0.0000 *   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4290    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  7  3  1  1  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  4  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
 14  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10 14  1  0  0  0  0
  9 12  1  1  0  0  0
 10  9  1  0  0  0  0
 10 16  1  6  0  0  0
 14 15  1  6  0  0  0
 16 17  1  0  0  0  0
 12 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  CHG  1  20   1
M  END
> <ID>
CHEBI:73748

> <NAME>
5-aminomethyl-2-thiouridine residue(1+)

> <DEFINITION>
An organic cationic group obtained by protonation of the exocyclic amino group of 5-aminomethyl-2-thiouridine residue.

> <STAR>
3

> <SYNONYM>
5-ammoniomethyl-2-thiouridine residue(1+); 5-aminomethyl-2-thiouridine residue; 5-(azaniumylmethyl)-2-thiourdine-O(3),5-diyl

> <FORMULA>
C10H14N3O4S

> <MASS>
272.30100

> <MONOISOTOPIC_MASS>
272.07050

> <CHARGE>
1

> <SMILES>
C1=C(C(NC(N1[C@@H]2O[C@H](C*)[C@H]([C@H]2O)O*)=S)=O)C[NH3+]

> <METACYC_ACCESSION>
tRNA-Containing-5AminoMe-2-ThioUrdines

$$$$