Marvin  03240818192D          

 17 16  0  0  1  0            999 V2000
   -2.8579   -0.1833    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1434    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000   -0.1833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    0.2292    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289   -0.1833    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    0.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  1 11  1  0  0  0  0
  1 17  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4 12  1  1  0  0  0
  4  5  1  0  0  0  0
  5 13  1  6  0  0  0
  5  6  1  0  0  0  0
  6 14  1  6  0  0  0
  6  7  1  0  0  0  0
  7 15  1  6  0  0  0
  7  8  1  0  0  0  0
  8 16  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <ID>
CHEBI:48928

> <NAME>
6-phospho-D-gluconic acid

> <DEFINITION>
A gluconic acid phosphate having the phosphate group at the 6-position. It is an intermediate in the pentose phosphate pathway.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:40282; CHEBI:2231; CHEBI:33851

> <SYNONYM>
6-Phospho-D-gluconate

> <IUPAC_NAME>
6-O-phosphono-D-gluconic acid

> <FORMULA>
C6H13O10P

> <MASS>
276.13518

> <MONOISOTOPIC_MASS>
276.02463

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1

> <INCHIKEY>
BIRSGZKFKXLSJQ-SQOUGZDYSA-N

> <CAS_REGISTRY_NUMBER>
921-62-0

> <REAXYS_REGISTRY_NUMBER>
1729373

> <CHEMIDPLUS>
921-62-0

> <DRUGBANK_ACCESSION>
DB02076

> <KEGG_COMPOUND_ACCESSION>
C00345

> <METACYC_ACCESSION>
CPD-2961

> <PDBECHEM_ACCESSION>
6PG

> <WIKIPEDIA_ACCESSION>
6-Phosphogluconic_acid

> <PUBMED_CITATION>
15337450; 4626611

$$$$