Marvin  07210811502D          

 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
   -3.1232   -3.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -4.6109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -2.9609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -3.7859    0.0000 P   0  0  3  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
    1.4644   -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
 16 17  1  0  0  0  0
 18 17  1  0  0  0  0
 20 21  1  6  0  0  0
M  END
> <ID>
CHEBI:16695

> <NAME>
uridine 5'-monophosphate

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

> <STAR>
3

> <SECONDARY_ID>
CHEBI:46381; CHEBI:47721; CHEBI:46362; CHEBI:46382; CHEBI:46385; CHEBI:13509; CHEBI:9849; CHEBI:27231; CHEBI:13508

> <SYNONYM>
Uridylic acid; uridylate; URIDINE-5'-MONOPHOSPHATE; Uridine monophosphate; uridine 5'-phosphoric acid; uridine 5'-phosphate; Uridine 5'-monophosphate; uridine 5'-(dihydrogen phosphate); UMP; pU; pU; 5'Uridylic acid; 5'-UMP

> <IUPAC_NAME>
5'-uridylic acid

> <FORMULA>
C9H13N2O9P

> <MASS>
324.18136

> <MONOISOTOPIC_MASS>
324.03587

> <CHARGE>
0

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

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

> <INCHIKEY>
DJJCXFVJDGTHFX-XVFCMESISA-N

> <BEILSTEIN_REGISTRY_NUMBER>
47486

> <CAS_REGISTRY_NUMBER>
58-97-9

> <GMELIN_REGISTRY_NUMBER>
310455

> <REAXYS_REGISTRY_NUMBER>
47486

> <CHEMIDPLUS>
58-97-9

> <DRUGBANK_ACCESSION>
DB03685

> <KEGG_COMPOUND_ACCESSION>
C00105

> <KNAPSACK_ACCESSION>
C00007311

> <METACYC_ACCESSION>
UMP

> <PDBECHEM_ACCESSION>
U5PrF10

> <WIKIPEDIA_ACCESSION>
Uridine_monophosphate

> <PUBMED_CITATION>
22735334; 2559771

$$$$