Marvin  02051013382D          

 21 22  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  1  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    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
    1.4644   -1.9214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -3.1589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -1.5089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1788   -2.3339    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6943   -3.3734    0.0000 O   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
    2.8933   -1.9214    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  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
 20 10  1  0  0  0  0
  9 18  1  1  0  0  0
  9 10  1  0  0  0  0
 10 12  1  6  0  0  0
 13 16  1  0  0  0  0
 16 14  2  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 20 13  1  6  0  0  0
 16 21  1  0  0  0  0
M  END
> <ID>
CHEBI:28070

> <NAME>
uridine 2'-phosphate

> <DEFINITION>
A pyrimidine ribonucleoside 2'-monophosphate having uracil as the nucleobase

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9894; CHEBI:46247; CHEBI:27228

> <SYNONYM>
Uridine 2'-phosphate; Uridine 2'-monophosphate

> <IUPAC_NAME>
2'-uridylic acid

> <FORMULA>
C9H13N2O9P

> <MASS>
324.18130

> <MONOISOTOPIC_MASS>
324.03587

> <CHARGE>
0

> <SMILES>
OC[C@H]1O[C@H]([C@H](OP(O)(O)=O)[C@@H]1O)n1ccc(=O)[nH]c1=O

> <INCHI>
InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1

> <INCHIKEY>
HQIDPEYTETUCNF-XVFCMESISA-N

> <BEILSTEIN_REGISTRY_NUMBER>
50670

> <CAS_REGISTRY_NUMBER>
131-83-9

> <CHEMIDPLUS>
131-83-9

> <KEGG_COMPOUND_ACCESSION>
C03031

> <PDBECHEM_ACCESSION>
U2P

$$$$