Basic information
- CAS
57229-25-1- Standard SMILES
O=C(O)[C@H](O)[C@H](O)COP(=O)(O)O- InChIKey
ZCZXOHUILRHRQJ-PWNYCUMCSA-N- Molecular formula
- C4H9O8P
- Average molar mass
- 216.08 g/mol
- Monoisotopic mass
- 216.00350424
Overview
4-phospho-D-erythronic acid is the D-enantiomer of 4-phosphoerythronic acid. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is functionally related to a D-erythronic acid. It is a conjugate acid of a 4-O-phosphonato-D-erythronate(3-). It is an enantiomer of a 4-phospho-L-erythronic acid.
Names & identifiers
- Preferred name
- 4-Phospho-D-Erythronate
- IUPAC
- (2R,3R)-2,3-dihydroxy-4-phosphonooxybutanoic acid
- English name
- 4-Phospho D-Erythronate
- Molecular formula
- C4H9O8P
- Molecular weight
- 216.08
Names & synonyms
4-Phospho-D-erythronate57229-25-14-phosphoerythronate(2R,3R)-2,3-dihydroxy-4-phosphonooxybutanoic acidDTXSID70332305RefChem:526463GlyTouCan:G45927JDDTXCID20283398G45927JD4-Phospho D-Erythronate(2R,3R)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid4-phospho-D-erythronic acid
Show more names
[R-(R*,R*)]-2,3-Dihydroxy-4-(phosphonooxy)butanoic AcidButanoic acid, 2,3-dihydroxy-4-(phosphonooxy)-, (2R,3R)-
4-O-phosphono-D-erythronic acid2bet(2R,3R)-2,3-Dihydroxy-4-(phosphonooxy)butanoic Acid; [R-(R*,R*)]-2,3-Dihydroxy-4-(phosphonooxy)butanoic Acid;SCHEMBL420471CHEMBL1160945CHEBI:49003DB03108PD059855
Database identifiers
- CAS
57229-25-1- PubChem CID
- 449304
- DTXSID
DTXSID70332305- ChEMBL
CHEMBL1160945- ChEBI
CHEBI:49003
Properties
Computed structural properties
- XLogP
- -3.2
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Methanol (Slightly, Water (Slightly)
- form
- Oil
- color
- Clear Colorless to Light Yellow
- Stability
- Hygroscopic
Chemistry & industry
Applications
Uses4-Phospho-D-erythronate is an intermediate in the synthesis of pyridoxal 5'-phosphate in some bacteria and an inhibitor of ribose 5-phosphate isomerase. Phosphorylated aldonic acids are strong inhibitors of 6-phosphogluconate dehydrogenase, and 4-phospho-D-erythronate (4PE) and 4-phospho-D-erythronohydroxamate are two of the strongest inhibitors of the Trypanosoma brucei enzyme.
Uses4-Phospho-D-erythronate is an intermediate in the synthesis of pyridoxal 5''-phosphate in some bacteria and an inhibitor of ribose 5-phosphate isomerase. Phosphorylated aldonic acids are strong inhibitors of 6-phosphogluconate dehydrogenase, and 4-phospho-D-erythronate (4PE) and 4-phospho-D-erythronohydroxamate are two of the strongest inhibitors of the Trypanosoma brucei enzyme.
Suppliers7 total
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Additional notes
Related reactions
0 records
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Compound notes
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