24 26  0  0  1  0  0  0  0  0999 V2000
   27.8600  -18.5500    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   29.1200  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2500  -19.0400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   27.0200  -17.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1200  -16.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -18.8300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.1300  -18.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8300  -20.3700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   27.8600  -16.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -16.0300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5000  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0100  -19.0400    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.4300  -20.3700    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.6000  -21.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5000  -16.7300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -14.8400    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   22.7500  -18.6200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6600  -21.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4700  -17.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0700  -17.2900    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   19.6700  -17.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0700  -15.8900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0700  -18.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5924  -14.1400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  1  1  1     0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  2  0     0  0
  5 10  1  0     0  0
  6 11  2  0     0  0
  7 12  1  0     0  0
  8 13  1  0     0  0
  8 14  1  6     0  0
 10 15  2  0     0  0
 10 16  1  0     0  0
 12 17  1  1     0  0
 13 18  1  6     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 20 22  1  0     0  0
 20 23  2  0     0  0
  5  9  1  0     0  0
 11 15  1  0     0  0
 12 13  1  0     0  0
 16 24  1  0     0  0
M  END
> <ID>
CHEBI:80609

> <NAME>
6-Methylthiopurine 5'-monophosphate ribonucleotide

> <STAR>
2

> <SYNONYM>
6-Methylthioinosine-5'-monophosphate

> <FORMULA>
C11H15N4O7PS

> <MASS>
378.29800

> <MONOISOTOPIC_MASS>
378.03991

> <CHARGE>
0

> <SMILES>
CSc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O

> <INCHI>
InChI=1S/C11H15N4O7PS/c1-24-10-6-9(12-3-13-10)15(4-14-6)11-8(17)7(16)5(22-11)2-21-23(18,19)20/h3-5,7-8,11,16-17H,2H2,1H3,(H2,18,19,20)/t5-,7-,8-,11-/m1/s1

> <INCHIKEY>
BMYFUCYXRGTQQL-IOSLPCCCSA-N

> <CAS_REGISTRY_NUMBER>
7021-52-5

> <KEGG_COMPOUND_ACCESSION>
C16615

$$$$