Marvin  02230711322D          

 22 22  0  0  1  0            999 V2000
    8.0768   -5.0873    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3601   -4.6748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6445   -5.0892    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6456   -5.9161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3623   -6.3286    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.0779   -5.9142    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3726   -3.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0851   -3.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7976   -3.8540    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5101   -3.4415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2226   -3.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0475   -3.8540    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    8.7934   -4.6790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0851   -2.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8725   -3.8540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434   -3.0290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0434   -4.6790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9317   -6.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9295   -4.6777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3634   -7.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7929   -6.3258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2102   -5.0832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  5  6  1  0  0  0  0
 11 12  1  0  0  0  0
  6  1  1  0  0  0  0
  9 13  1  0  0  0  0
  8 14  2  0  0  0  0
  1  2  1  0  0  0  0
 12 15  1  0  0  0  0
  7  8  1  0  0  0  0
 12 16  2  0  0  0  0
  2  3  1  0  0  0  0
 12 17  1  0  0  0  0
  1 13  1  6  0  0  0
  8  9  1  0  0  0  0
  4 18  1  6  0  0  0
  3  4  1  0  0  0  0
  3 19  1  1  0  0  0
  9 10  1  0  0  0  0
  5 20  1  1  0  0  0
  4  5  1  0  0  0  0
  6 21  1  1  0  0  0
 10 11  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <ID>
CHEBI:16351

> <NAME>
2-(alpha-D-mannosyl)-3-phosphoglyceric acid

> <DEFINITION>
A is a monophosphoglyceric acid having the phosphate group at the 3-position as well as an α-D-mannosyl residue attached at the 2-position.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11402; CHEBI:977; CHEBI:11466

> <SYNONYM>
2-(alpha-D-Mannosyl)-3-phosphoglycerate

> <IUPAC_NAME>
2-(alpha-D-mannopyranosyloxy)-3-(phosphonooxy)propanoic acid

> <FORMULA>
C9H17O12P

> <MASS>
348.19784

> <MONOISOTOPIC_MASS>
348.04576

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4?,5-,6+,7+,9-/m1/s1

> <INCHIKEY>
RJDBNSZFZDWPFL-WEDYNZIRSA-N

> <KEGG_COMPOUND_ACCESSION>
C11516

$$$$