Marvin  03310815212D          

 22 22  0  0  1  0            999 V2000
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6674   -0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4056   -1.2907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6674   -0.4849    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.4194   -1.2907    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8974   -1.9370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4521   -0.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810    0.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -0.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5955   -0.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8810   -0.2300    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8810   -1.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4521   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665   -0.6425    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    2.1665   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8810   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3099   -0.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -0.6425    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.5955    0.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  1  4  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  6  0  0  0
  3  5  1  0  0  0  0
  3  6  1  6  0  0  0
  4  8  1  1  0  0  0
  4  5  1  0  0  0  0
  5  7  1  6  0  0  0
  8 10  1  0  0  0  0
 12  9  2  0  0  0  0
 10 12  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 18  1  0  0  0  0
 15 17  1  0  0  0  0
 18 21  1  0  0  0  0
 21 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <ID>
CHEBI:17111

> <NAME>
5-O-phosphono-alpha-D-ribofuranosyl diphosphate

> <DEFINITION>
A derivative of α-D-ribose having a phosphate group at the 5-position and a diphosphate at the 1-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12160; CHEBI:12159; CHEBI:2121; CHEBI:45139; CHEBI:20625

> <SYNONYM>
PRPP; PRib-PP; phosphoribosylpyrophosphate; phosphoribosyl pyrophosphate; ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID; alpha-D-ribofuranose 5-(dihydrogen phosphate) 1-(trihydrogen diphosphate); 5-Phosphoribosyl diphosphate; 5-Phosphoribosyl 1-pyrophosphate; 5-Phospho-alpha-D-ribose 1-diphosphate

> <IUPAC_NAME>
5-O-phosphono-alpha-D-ribofuranose 1-(trihydrogen diphosphate)

> <FORMULA>
C5H13O14P3

> <MASS>
390.06960

> <MONOISOTOPIC_MASS>
389.95182

> <CHARGE>
0

> <SMILES>
O[C@H]1[C@@H](O)[C@H](O[C@@H]1COP(O)(O)=O)OP(O)(=O)OP(O)(O)=O

> <INCHI>
InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

> <INCHIKEY>
PQGCEDQWHSBAJP-TXICZTDVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
60403

> <CAS_REGISTRY_NUMBER>
7540-64-9

> <REAXYS_REGISTRY_NUMBER>
60403

> <CHEMIDPLUS>
7540-64-9

> <DRUGBANK_ACCESSION>
DB01632

> <KEGG_COMPOUND_ACCESSION>
C00119

> <KNAPSACK_ACCESSION>
C00007296

> <METACYC_ACCESSION>
PRPP

> <PDBECHEM_ACCESSION>
PRP

> <PUBMED_CITATION>
22264286; 23509005; 23734909

$$$$