CDK    2/12/10,15:27

 25 26  0  0  0  0  0  0  0  0999 V2000
   13.4546   -7.5338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2451   -7.2761    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8118   -7.0630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2140   -8.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8637   -7.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4169   -6.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1416   -7.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3856   -8.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6986   -9.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6507   -7.5648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6987   -8.6302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1936   -6.2037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3546   -7.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8976   -9.0013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8191   -6.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7704   -7.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6027   -6.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9489   -7.8741    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.1275   -7.8741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9455   -8.6955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9455   -7.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3061   -7.8707    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    8.2992   -8.6921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4813   -7.8707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2992   -7.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0 
  1  3  1  0  0  0  0 
  1  4  1  0  0  0  0 
  2  5  1  0  0  0  0 
  2  6  1  0  0  0  0 
  3  7  1  0  0  0  0 
  4  8  1  0  0  0  0 
  4  9  1  6  0  0  0 
  5 10  1  0  0  0  0 
  5 11  2  0  0  0  0 
  6 12  2  0  0  0  0 
  7 13  1  1  0  0  0 
  8 14  1  6  0  0  0 
 10 15  1  0  0  0  0 
 13 16  1  0  0  0  0 
 15 17  2  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 18 20  1  0  0  0  0 
 18 21  2  0  0  0  0 
 19 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 22 25  2  0  0  0  0 
  7  8  1  0  0  0  0 
 12 15  1  0  0  0  0 
M  CHG  1  20  -1
M  CHG  1  23  -1
M  CHG  1  24  -1
M  END
> <ID>
CHEBI:58223

> <NAME>
UDP(3-)

> <DEFINITION>
A nucleoside 5'-diphosphate(3?) arising from deprotonation of the diphosphate OH groups of uridine 5'-diphosphate (UDP); major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
uridine 5'-diphosphate(3-); uridine 5'-diphosphate trianion; uridine 5'-diphosphate; UDP trianion; UDP

> <IUPAC_NAME>
5'-O-[(phosphonatooxy)phosphinato]uridine

> <FORMULA>
C9H11N2O12P2

> <MASS>
401.13740

> <MONOISOTOPIC_MASS>
400.98037

> <CHARGE>
-3

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

> <INCHI>
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/p-3/t4-,6-,7-,8-/m1/s1

> <INCHIKEY>
XCCTYIAWTASOJW-XVFCMESISA-K

> <REAXYS_REGISTRY_NUMBER>
4895226

> <METACYC_ACCESSION>
UDP

> <PUBMED_CITATION>
8632770

$$$$