Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110203
Identification
Name: 2-C-methyl-D-erythritol 4-phosphate
Description:An organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 2-C-methyl-D-erythritol 4-phosphate; major species at pH 7.3.
Structure
Thumb
Synonyms:
  • MEP
  • 2-methylerylthritol 4-phosphate
Chemical Formula: C5H11O7P
Average Molecular Weight: 214.11
Monoisotopic Molecular Weight: 216.039889282
InChI Key: XMWHRVNVKDKBRG-UHNVWZDZSA-L
InChI: InChI=1S/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)/p-2/t4-,5+/m1/s1
CAS number: Not Available
IUPAC Name:(2R,3S)-2,3,4-trihydroxy-3-methylbutyl phosphate
Traditional IUPAC Name: Not Available
SMILES:CC(O)(CO)C(O)COP([O-])([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Sugar alcohols
Alternative Parents
Substituents
  • Alkyl phosphate
  • Sugar alcohol
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Tertiary alcohol
  • Secondary alcohol
  • Polyol
  • Organic oxide
  • Hydrocarbon derivative
  • Primary alcohol
  • Alcohol
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer21896402 PubChem
Molecular Weight214.11 g/molPubChem
XLogP3-AA-3.5 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count7 PubChem
Rotatable Bond Count4 PubChem
Exact Mass214.024 g/molPubChem
Monoisotopic Mass214.024 g/molPubChem
Topological Polar Surface Area133 A^2PubChem
Heavy Atom Count13 PubChem
Formal Charge-2 PubChem
Complexity190 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:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI58262
ChemSpider10645747
IAF1260216293
KEGGC11434
PubChem21896402