Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110820
Identification
Name: 1-deoxy-L-glycero-tetrulose 4-phosphate
Description:Not Available
Structure
Thumb
Synonyms:
  • 3,4-dihydroxy-2-butanone-4-phosphate
  • tetrolose phosphate
  • 3,4-dihydroxy-2-butanone-4-P
  • L-3,4-dihydroxybutan-2-one-4-phosphate
Chemical Formula: C4H7O6P
Average Molecular Weight: 182.07
Monoisotopic Molecular Weight: 184.0136745315
InChI Key: OKYHYXLCTGGOLM-SCSAIBSYSA-L
InChI: InChI=1S/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)/p-2/t4-/m1/s1
CAS number: Not Available
IUPAC Name:2-hydroxy-3-oxobutyl dihydrogen phosphate
Traditional IUPAC Name: Not Available
SMILES:CC(=O)C(O)COP(=O)([O-])[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as monosaccharides. These are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Monosaccharides
Alternative Parents
Substituents
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Monosaccharide
  • Acyloin
  • Alpha-hydroxy ketone
  • Secondary alcohol
  • Ketone
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Alcohol
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • a small molecule (DIHYDROXY-BUTANONE-P)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
3D Conformer21983291 PubChem
Molecular Weight182.068 g/molPubChem
XLogP3-AA-2.6 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count6 PubChem
Rotatable Bond Count3 PubChem
Exact Mass181.998 g/molPubChem
Monoisotopic Mass181.998 g/molPubChem
Topological Polar Surface Area110 A^2PubChem
Heavy Atom Count11 PubChem
Formal Charge-2 PubChem
Complexity172 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count1 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
ChEBI50606
ChemSpider10739351
IAF1260199371
KEGGC15556
PubChem21983291