Marvin  08270913512D          

 21 22  0  0  1  0            999 V2000
    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 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
   -0.7145    0.4125    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
    0.6674   -2.1349    0.0000 C   0  0  1  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  1  0  0  0  0  0  0  0  0  0
    1.4521   -1.8800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8974   -3.5870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -3.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5619   -4.3407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6943   -3.3735    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.2777   -3.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9078   -2.5766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6943   -4.1985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  1  1  0  0  0
  1  2  1  0  0  0  0
  2 13  2  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5 15  1  0  0  0  0
  3  6  2  0  0  0  0
  6  5  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  6  0  0  0
 10 16  1  1  0  0  0
 10 11  1  0  0  0  0
 11 14  1  6  0  0  0
 16 17  1  0  0  0  0
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 21  1  0  0  0  0
M  END
> <ID>
CHEBI:53013

> <NAME>
3'-CMP

> <DEFINITION>
A cytidine 3'-phosphate compound with a monophosphate group at the 3'-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41615; CHEBI:41345; CHEBI:1335; CHEBI:23517; CHEBI:28929

> <SYNONYM>
Cytidine-3'-Monophosphate; CYTIDINE-3'-MONOPHOSPHATE; Cytidine 3'-phosphate; Cytidine 3'-monophosphate; 3'-Cytidylic acid; 3'-CMP

> <IUPAC_NAME>
3'-cytidylic acid

> <FORMULA>
C9H14N3O8P

> <MASS>
323.19650

> <MONOISOTOPIC_MASS>
323.05185

> <CHARGE>
0

> <SMILES>
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H]2O)c(=O)n1

> <INCHI>
InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

> <INCHIKEY>
UOOOPKANIPLQPU-XVFCMESISA-N

> <BEILSTEIN_REGISTRY_NUMBER>
46971

> <CAS_REGISTRY_NUMBER>
63-37-6

> <REAXYS_REGISTRY_NUMBER>
46971

> <CHEMIDPLUS>
84-52-6

> <DRUGBANK_ACCESSION>
DB01961

> <KEGG_COMPOUND_ACCESSION>
C05822

> <METACYC_ACCESSION>
CPD-3711

> <PDBECHEM_ACCESSION>
C3P

> <PUBMED_CITATION>
20602460; 5256413

$$$$