Ketcher 06161712252D 1   1.00000     0.00000     0

  9  8  0     1  0            999 V2000
    1.2990    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -0.2499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2990   -0.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651    0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -0.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2990    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4330   -1.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4330    1.2499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  7  1  2  0     0  0
  2  1  1  0     0  0
  2  8  1  6     0  0
  3  2  1  0     0  0
  3  9  1  1     0  0
  3  4  1  0     0  0
  5  4  1  0     0  0
  6  1  1  0     0  0
M  CHG  1   6  -1
M  END
> <ID>
CHEBI:136591

> <NAME>
D-erythronate

> <DEFINITION>
An erythronate that is the conjugate base of D-erythronic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

> <STAR>
3

> <SYNONYM>
D-erythronate

> <IUPAC_NAME>
(2R,3R)-2,3,4-trihydroxybutanoate

> <FORMULA>
C4H7O5

> <MASS>
135.096

> <MONOISOTOPIC_MASS>
135.02990

> <CHARGE>
-1

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

> <INCHI>
InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/p-1/t2-,3-/m1/s1

> <INCHIKEY>
JPIJQSOTBSSVTP-PWNYCUMCSA-M

> <REAXYS_REGISTRY_NUMBER>
4664614

> <METACYC_ACCESSION>
CPD-19877

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