Marvin  01251112212D          

 17 16  0  0  1  0            999 V2000
    1.4289   -0.2357    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.1768    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.2357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    0.1768    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.2357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.2357    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.5893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  6  0  0  0
  2  1  1  0  0  0  0
  2 10  1  6  0  0  0
  1  3  1  0  0  0  0
  8  3  2  0  0  0  0
  3 13  1  0  0  0  0
  4  2  1  0  0  0  0
  4 11  1  6  0  0  0
  5  4  1  0  0  0  0
  5 12  1  1  0  0  0
  6  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7 16  1  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <ID>
CHEBI:15954

> <NAME>
aldehydo-D-glucose 6-phosphate

> <DEFINITION>
The open-chain form of D-glucose 6-phosphate.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:21002; CHEBI:42666; CHEBI:12968

> <SYNONYM>
(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl dihydrogen phosphate

> <IUPAC_NAME>
aldehydo-D-glucose 6-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13580

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h1,3-6,8-11H,2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1

> <INCHIKEY>
VFRROHXSMXFLSN-SLPGGIOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1728867

> <REAXYS_REGISTRY_NUMBER>
1728867

> <DRUGBANK_ACCESSION>
DB03581

> <KEGG_COMPOUND_ACCESSION>
C03251

> <PDBECHEM_ACCESSION>
G6Q

$$$$