(2R,3R,4S,5S)-3,5-dihydroxy-4-methyloxan-2-yl phosphate
  Marvin  07161013402D          

 14 14  0  0  0  0            999 V2000
   -1.6207    2.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063    2.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    2.2563    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1918    1.4312    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5227    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207    1.4312    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3352    1.0187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9063    1.0187    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9063    0.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5227    2.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477    3.4938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1727    2.6688    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3477    2.6688    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477    1.8438    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  1  6  1  0  0  0  0
  6  8  1  0  0  0  0
  8  4  1  0  0  0  0
  4  3  1  0  0  0  0
  3 10  1  6  0  0  0
  4  5  1  6  0  0  0
  6  7  1  6  0  0  0
  8  9  1  1  0  0  0
 10 13  1  0  0  0  0
 13 11  2  0  0  0  0
 13 12  1  0  0  0  0
 13 14  1  0  0  0  0
M  CHG  2  12  -1  14  -1
M  END
> <ID>
CHEBI:57559

> <NAME>
alpha-D-xylose 1-phosphate(2-)

> <DEFINITION>
Dianion of α-D-xylose 1-phosphate arising from deprotonation of both OH groups of the phosphate.

> <STAR>
3

> <SYNONYM>
alpha-D-xylose 1-phosphate dianion; alpha-D-xylose 1-phosphate; 1-O-phosphono-alpha-D-xylopyranose

> <IUPAC_NAME>
alpha-D-xylopyranose 1-phosphate

> <FORMULA>
C5H9O8P

> <MASS>
228.09390

> <MONOISOTOPIC_MASS>
228.00350

> <CHARGE>
-2

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

> <INCHI>
InChI=1S/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/p-2/t2-,3+,4-,5-/m1/s1

> <INCHIKEY>
ILXHFXFPPZGENN-KKQCNMDGSA-L

> <METACYC_ACCESSION>
CPD-490

$$$$