Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110348
Identification
Name: 2,3-diphospho-D-glycerate
Description:Not Available
Structure
Thumb
Synonyms:
  • 2,3-bisphosphoglycerate
  • D-Greenwald ester
  • 2,3-P2-D-glycerate
  • 2,3-bisphospho-D-glycerate
  • 2,3-diphosphoglycerate
  • DPG
  • 2,3-bisPGA
Chemical Formula: C3H3O10P2
Average Molecular Weight: 265.9592694978
Monoisotopic Molecular Weight: 265.9592694978
InChI Key: XOHUEYCVLUUEJJ-UWTATZPHSA-I
InChI: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/p-5/t2-/m1/s1
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C(OP(=O)([O-])[O-])C(OP(=O)([O-])[O-])C(=O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Kingdom Organic compounds
Super ClassOrganic oxygen compounds
Class Organooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct Parent Sugar acids and derivatives
Alternative Parents
Substituents
  • Glyceric_acid
  • Alkyl phosphate
  • Phosphoric acid ester
  • Organic phosphoric acid derivative
  • Monosaccharide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxide
  • Hydrocarbon derivative
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors
  • phosphoglycerate (CHEBI:19324)
  • a glycerate (23-DIPHOSPHOGLYCERATE)
Physical Properties
State: Not Available
Charge:Not Available
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Mass260.9972ChemAxon
logP-0.9237ChemAxon
H-bond acceptors10ChemAxon
H-bond donors0ChemAxon
Rotatable bonds6ChemAxon
PSA204.5900ChemAxon
RO5 violations0ChemAxon
RO3 violations3ChemAxon
Refractivity34.3795ChemAxon
Atoms18ChemAxon
Rings0ChemAxon
Heavy atoms15ChemAxon
Hydrogen atoms3ChemAxon
Heteroatoms12ChemAxon
N/O atoms10ChemAxon
Inorganic atoms0ChemAxon
Halogen atoms0ChemAxon
Chiral centers1ChemAxon
R/S chiral centers0ChemAxon
Unknown chiral centers0ChemAxon
Undefined chiral centers1ChemAxon
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:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
PseudoCyc23-DIPHOSPHOGLYCERATE