Marvin  07301011132D          

 11 10  0  0  1  0            999 V2000
    8.7751   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0582   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -4.3490    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6310   -3.9350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3446   -5.1770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9142   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6310   -3.1102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.9365    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.2040   -4.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -3.1115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4896   -4.7615    0.0000 O   0  0  0  0  0  0  0  0  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
  3  5  1  1  0  0  0
  4  6  1  0  0  0  0
  4  7  2  0  0  0  0
  1  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
M  END
> <ID>
CHEBI:17794

> <NAME>
3-phospho-D-glyceric acid

> <DEFINITION>
The D-enantiomer of 3-phosphoglyceric acid

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12987; CHEBI:11879; CHEBI:1657; CHEBI:11880; CHEBI:21029

> <SYNONYM>
D-Glycerate 3-phosphate; D-glycerate 3-phosphate; 3-Phosphoglycerate; 3-Phospho-D-glycerate; 3-phospho-D-glycerate; 3-Phospho-(R)-glycerate

> <IUPAC_NAME>
(2R)-2-hydroxy-3-(phosphonooxy)propanoic acid

> <FORMULA>
C3H7O7P

> <MASS>
186.05720

> <MONOISOTOPIC_MASS>
185.99294

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

> <INCHIKEY>
OSJPPGNTCRNQQC-UWTATZPHSA-N

> <KEGG_COMPOUND_ACCESSION>
C00197

> <KNAPSACK_ACCESSION>
C00019551

> <METACYC_ACCESSION>
G3P

> <PDBECHEM_ACCESSION>
3PG

> <WIKIPEDIA_ACCESSION>
3-Phosphoglyceric_acid

$$$$