Marvin  07161312292D          

 22 23  0  0  1  0            999 V2000
   11.1812   -5.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1812   -4.9934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8958   -6.2309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6103   -5.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6103   -4.9934    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8958   -4.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8958   -7.0559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.2284   -7.5408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4833   -8.3254    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.3083   -8.3254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.3247   -6.2309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4869  -10.0168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4869   -9.1918    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2015   -8.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9984   -8.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5633   -7.5408    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.3602   -7.3273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8958   -3.7559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7931   -8.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7725   -8.7793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4668   -4.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4869   -8.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
 16 10  1  0  0  0  0
  9 15  1  1  0  0  0
  9 10  1  0  0  0  0
 10 19  1  6  0  0  0
 20 13  1  0  0  0  0
 13 12  2  0  0  0  0
 13 14  1  0  0  0  0
 15 14  1  0  0  0  0
 16 17  1  6  0  0  0
  2 21  1  0  0  0  0
 13 22  1  0  0  0  0
M  END
> <ID>
CHEBI:74725

> <NAME>
5-methylcytidine 5'-monophosphate

> <DEFINITION>
A pyrimidine ribonucleoside 5'-monophosphate having 5-methylcytosine as the nucleobase.

> <STAR>
3

> <SYNONYM>
5-methylcytidylic acid; 5-methylcytidine 5'-phosphate; 5-methyl-CMP

> <FORMULA>
C10H16N3O8P

> <MASS>
337.22310

> <MONOISOTOPIC_MASS>
337.06750

> <CHARGE>
0

> <SMILES>
Cc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=O)nc1N

> <INCHI>
InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1

> <INCHIKEY>
NJQONZSFUKNYOY-JXOAFFINSA-N

> <CAS_REGISTRY_NUMBER>
3590-36-1

> <CHEMIDPLUS>
3590-36-1

> <DRUGBANK_ACCESSION>
DB01995

> <PDBECHEM_ACCESSION>
5MC

> <PUBMED_CITATION>
4815287

$$$$