Marvin  02221117162D          

 16 15  0  0  1  0            999 V2000
   15.3254   -8.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6109   -8.4510    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.8964   -8.0385    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1819   -8.4510    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.4675   -8.0385    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7531   -8.4510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0386   -8.0385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0398   -8.4510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6109   -9.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8964   -7.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1819   -9.2760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4675   -7.2135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7543   -8.0385    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   17.4688   -7.6260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1667   -8.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3418   -7.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  1  1  0  0  0  0
  2  9  1  1  0  0  0
  3 10  1  6  0  0  0
  4 11  1  6  0  0  0
  5 12  1  1  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
> <ID>
CHEBI:16298

> <NAME>
D-mannitol 1-phosphate

> <DEFINITION>
An alditol 1-phosphate that is the 1-O-phospho derivative of mannitol with D-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12997; CHEBI:4205; CHEBI:21051

> <SYNONYM>
D-Mannitol 1-phosphate

> <IUPAC_NAME>
D-mannitol 1-(dihydrogen phosphate); 1-O-phosphono-D-mannitol

> <FORMULA>
C6H15O9P

> <MASS>
262.15170

> <MONOISOTOPIC_MASS>
262.04537

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1

> <INCHIKEY>
GACTWZZMVMUKNG-KVTDHHQDSA-N

> <CAS_REGISTRY_NUMBER>
15806-48-1

> <REAXYS_REGISTRY_NUMBER>
1728362

> <CHEMIDPLUS>
15806-48-1

> <KEGG_COMPOUND_ACCESSION>
C00644

> <KNAPSACK_ACCESSION>
C00019638

> <METACYC_ACCESSION>
MANNITOL-1P

> <PUBMED_CITATION>
21299839

$$$$