Marvin  06080713512D          

 21 20  0  0  0  0            999 V2000
   -2.7187    3.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0043    4.0063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    0.2938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8937    2.7688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8937    1.9438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8937    1.1188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0043   -0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793    0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1793   -0.1187    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3543   -0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707    0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -0.9437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4707   -0.1187    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.2957   -0.1187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    2.7688    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5437    2.7688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    1.9438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5437    1.9438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7187    1.1188    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5437    1.1188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20  3  1  0  0  0  0
  1  2  1  0  0  0  0
  3  7  1  0  0  0  0
 16  4  1  1  0  0  0
 18  5  1  1  0  0  0
 20  6  1  1  0  0  0
  7 10  1  0  0  0  0
 10  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 14  1  0  0  0  0
 14 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  0  0  0  0
 16 17  1  1  0  0  0
 18 19  1  1  0  0  0
 20 21  1  1  0  0  0
M  END
> <ID>
CHEBI:28662

> <NAME>
D-ribose 5-diphosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:4237; CHEBI:21082

> <SYNONYM>
D-Ribose 5-diphosphate

> <IUPAC_NAME>
D-ribose 5-(trihydrogen diphosphate)

> <FORMULA>
C5H12O11P2

> <MASS>
312.10558

> <MONOISOTOPIC_MASS>
312.00114

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H14O11P2/c6-1-3(7)5(9)4(8)2-15-18(13,14)16-17(10,11)12/h3-9H,1-2H2,(H,13,14)(H2,10,11,12)/t3-,4+,5-/m0/s1

> <INCHIKEY>
DUQMUVMFEODVAE-LMVFSUKVSA-N

> <KEGG_COMPOUND_ACCESSION>
C01095

$$$$