Marvin  10121214502D          

 18 18  0  0  1  0            999 V2000
    8.8606   -5.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6553   -5.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2100   -4.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9244   -5.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6389   -4.2051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9244   -4.6176    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.9244   -3.7926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7580   -3.9751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4253   -4.4601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0905   -4.4601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3455   -5.2446    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1705   -5.2446    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3058   -4.2051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6927   -4.7571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783   -4.3446    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    6.2639   -4.7571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783   -3.5196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9783   -5.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  3  1  6  0  0  0
 11  1  1  6  0  0  0
 12  2  1  6  0  0  0
  3  6  1  0  0  0  0
  6  4  2  0  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
 13 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  0  0  0  0
  8 10  1  0  0  0  0
 10 13  1  1  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 15 18  1  0  0  0  0
M  END
> <ID>
CHEBI:68819

> <NAME>
alpha-D-ribose 1,5-bisphosphate

> <DEFINITION>
A D-ribose 1,5-diphosphate in which the anomeric centre has α-configuration.

> <STAR>
3

> <SYNONYM>
Ribose 1,5-bisphosphate; alpha-D-ribose 1,5-diphosphate

> <IUPAC_NAME>
alpha-D-ribofuranose 1,5-bis(dihydrogen phosphate); 1,5-di-O-phosphono-alpha-D-ribofuranose

> <FORMULA>
C5H12O11P2

> <MASS>
310.08970

> <MONOISOTOPIC_MASS>
309.98549

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1

> <INCHIKEY>
AAAFZMYJJHWUPN-TXICZTDVSA-N

> <CAS_REGISTRY_NUMBER>
14689-84-0

> <REAXYS_REGISTRY_NUMBER>
40197

> <KEGG_COMPOUND_ACCESSION>
C01151

$$$$