Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110159
Identification
Name: 4-phospho-hydroxy-L-threonine
Description:Not Available
Structure
Thumb
Synonyms:
  • L-threo-3-hydroxy-homoserine phosphate
  • 4-phosphonooxy-L-threonine
  • 4-phospho-hydroxy-threonine
  • 4-(phosphonooxy)-threonine
  • O-phospho-4-hydroxy-L-threonine
  • phospho-hydroxy-threonine
  • 4-(phosphonooxy)-L-threonine
Chemical Formula: C4H8NO7P
Average Molecular Weight: 216.027313223
Monoisotopic Molecular Weight: 216.027313223
InChI Key: FKHAKIJOKDGEII-GBXIJSLDSA-L
InChI: InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/p-2/t2-,3+/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(=O)([O-])C([N+])C(O)COP([O-])(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Carboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct Parent Alpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Beta-hydroxy acid
  • Short-chain hydroxy acid
  • Hydroxy acid
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Fatty acid
  • Secondary alcohol
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Alcohol
  • Organic salt
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass213.0826ChemAxon
logP-2.3277ChemAxon
H-bond acceptors8ChemAxon
H-bond donors3ChemAxon
Rotatable bonds5ChemAxon
PSA165.7800ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity35.5805ChemAxon
Atoms21ChemAxon
Rings0ChemAxon
Heavy atoms13ChemAxon
Hydrogen atoms8ChemAxon
Heteroatoms9ChemAxon
N/O atoms8ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers2ChemAxon
R/S chiral centers2ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers0ChemAxon
Stereo double bonds0ChemAxon
Cis/trans stereo double bonds0ChemAxon
Unknown stereo double bonds0ChemAxon
Undefined stereo double bonds 0ChemAxon
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
    PseudoCyc4-PHOSPHONOOXY-THREONINE