Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110580
Identification
Name: erythronate-4-phosphate
Description:The D-enantiomer of 4-phosphoerythronic acid.
Structure
Thumb
Synonyms:
  • 4-Phospho-D-erythronate
  • 4-phosphoerythronate
  • erythronate-4P
  • D-erythronate-4-phosphate
  • D-erythronate-4P
Chemical Formula: C4H6O8P
Average Molecular Weight: 213.06
Monoisotopic Molecular Weight: 216.0035037757
InChI Key: ZCZXOHUILRHRQJ-PWNYCUMCSA-K
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)/p-3/t2-,3-/m1/s1
CAS number: Not Available
IUPAC Name:(2R,3R)-2,3-dihydroxy-4-(phosphonooxy)butanoic acid
Traditional IUPAC Name: Not Available
SMILES:C(OP(=O)([O-])[O-])C(C(C([O-])=O)O)O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharide phosphates
Alternative Parents
Substituents
  • Monosaccharide phosphate
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Hydroxy acid
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Fatty acid
  • Alkyl phosphate
  • 1,2-diol
  • Carboxylic acid salt
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a sugar phosphate (ERYTHRONATE-4P)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer5276738 PubChem
Molecular Weight213.058 g/molPubChem
XLogP3-AA-2.7 PubChem
Hydrogen Bond Donor Count2 PubChem
Hydrogen Bond Acceptor Count8 PubChem
Rotatable Bond Count3 PubChem
Exact Mass212.98 g/molPubChem
Monoisotopic Mass212.98 g/molPubChem
Topological Polar Surface Area153 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge-3 PubChem
Complexity203 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count2 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
  • pyridoxal 5'-phosphate biosynthesis IPYRIDOXSYN-PWY
  • superpathway of pyridoxal 5'-phosphate biosynthesis and salvagePWY0-845
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI1924
    ChemSpider4440680
    IAF126041765
    KEGGC03393
    PubChem5276738