Marvin  01080817152D          

 13 12  0  0  1  0            999 V2000
   -1.4289    0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.2475    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.1650    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.0725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.1650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.9900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.2475    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1434    0.5775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  2  1  0  0  0  0
  3  6  1  6  0  0  0
  2  4  1  0  0  0  0
  4  3  1  0  0  0  0
  4  7  1  1  0  0  0
  3  5  1  0  0  0  0
 11  5  1  0  0  0  0
  5 10  2  0  0  0  0
  8 12  2  0  0  0  0
  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <ID>
CHEBI:48153

> <NAME>
D-erythrose 4-phosphate

> <DEFINITION>
An erythrose phosphate that is D-erythrose carrying a phosphate group at position 4. It is an intermediate in the pentose phosphate pathway and Calvin cycle.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42349; CHEBI:4114; CHEBI:12921

> <SYNONYM>
ERYTHOSE-4-PHOSPHATE; D-Erythrose 4-phosphate; 4-O-phosphono-D-erythrose

> <IUPAC_NAME>
D-erythrose 4-(dihydrogen phosphate); (2R,3R)-2,3-dihydroxy-4-oxobutyl dihydrogen phosphate

> <FORMULA>
C4H9O7P

> <MASS>
200.08382

> <MONOISOTOPIC_MASS>
200.00859

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1

> <INCHIKEY>
NGHMDNPXVRFFGS-IUYQGCFVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1710821

> <CAS_REGISTRY_NUMBER>
585-18-2

> <REAXYS_REGISTRY_NUMBER>
1710821

> <CHEMIDPLUS>
585-18-2

> <DRUGBANK_ACCESSION>
DB03937

> <KEGG_COMPOUND_ACCESSION>
C00279

> <KNAPSACK_ACCESSION>
C00007472

> <PDBECHEM_ACCESSION>
E4P

> <WIKIPEDIA_ACCESSION>
Erythrose_4-phosphate

$$$$