Marvin  04130816592D          
 
 13 12  0  0  0  0            999 V2000
    2.5006   -0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5006    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7862   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7862    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 11  2  0  0  0  0
 12  8  2  0  0  0  0
 12  3  1  0  0  0  0
 12  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  1  0  0  0
  7  2  1  0  0  0  0
  6  7  1  0  0  0  0
  7 10  1  6  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:49003

> <NAME>
4-phospho-D-erythronic acid

> <DEFINITION>
The D-enantiomer of 4-phosphoerythronic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:41926; CHEBI:1924

> <SYNONYM>
4-Phosphoerythronate; 4-PHOSPHO-D-ERYTHRONATE; 4-Phospho-D-erythronate

> <IUPAC_NAME>
4-O-phosphono-D-erythronic acid; (2R,3R)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid

> <FORMULA>
C4H9O8P

> <MASS>
216.08322

> <MONOISOTOPIC_MASS>
216.00350

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/t2-,3-/m1/s1

> <INCHIKEY>
ZCZXOHUILRHRQJ-PWNYCUMCSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1878433

> <DRUGBANK_ACCESSION>
DB03108

> <KEGG_COMPOUND_ACCESSION>
C03393

> <PDBECHEM_ACCESSION>
DEZ

$$$$