We are currently updating the database - data may be missing for the next 10 minutes. We apologize for any inconvenience.

Bovine Metabolome Database



Showing metabocard for Glyceric acid (BMDB00139)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-07-08 12:02:02
Accession Number BMDB00139
Common Name Glyceric acid
Description A colorless syrupy acid, obtained from oxidation of glycerol. It is a compound that is secreted excessively in the urine by patients suffering from D-glyceric aciduria and D-glycerate anemia. Deficiency of human glycerate kinase leads to D-glycerate acidemia/D-glyceric aciduria. Symptoms of the disease include progressive neurological impairment, hypotonia, seizures, failure to thrive and metabolic acidosis.
Synonyms
  1. D-Glycerate
  2. D-Glyceric acid
  3. Glycerate
  4. Glyceric acid
  5. a,b-Hydroxypropionate
  6. a,b-Hydroxypropionic acid
Chemical IUPAC Name 2,3-dihydroxypropanoic acid
Chemical Formula C3H6O4
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Organic acids
Class
  • Hydroxy Acids
Sub Class
  • Short chain hydroxy acids
Family
  • Mammalian_Metabolite
Species
  • primary alcohol; secondary alcohol; 1,2-diol; carboxylic acid; alpha-hydroxyacid
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 106.077
Monoisotopic Molecular Weight 106.026611
Isomeric SMILES OC[C@@H](O)C(O)=O
Canonical SMILES OCC(O)C(O)=O
KEGG Compound ID C00258 Link Image
BioCyc ID 2-PG Link Image
BiGG ID 34424 Link Image
Wikipedia Link Glyceric acid Link Image
METLIN ID 280 Link Image
PubChem Compound 439194 Link Image
PubChem Substance 3557 Link Image
ChEBI ID 16659 Link Image
CAS Registry Number 473-81-4
InChI Identifier InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m1/s1
Synthesis Reference Kyriacou, Demetrios; Tougas, Terrence P. Preparation of glyceric acid by anodic oxidation of glycerol at a silver oxide electrode. Journal of Organic Chemistry (1987), 52(11), 2318-19.
Melting Point (Experimental) Not Available
Experimental Water Solubility 1000.0 mg/mL [MERCK INDEX (1996)] Source: PhysProp
Predicted Water Solubility 639.0 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -1
State Liquid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -1.72 [Predicted by ALOGPS]; -1.7 [Predicted by PubChem via XLOGP]; -0.51 [MEYLAN,WM & HOWARD,PH (1995)] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Download Spectrum
Download FID (Varian)
Show Experimental Conditions Link Image
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Download Spectrum
Download FID (Bruker)
Show Experimental Conditions Link Image
Predicted 1H NMR Spectrum Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
Show Peaklist
Mass Spectrum
Low Energy
Download File
Show Experimental Conditions Link Image
Medium Energy
Download File
Show Experimental Conditions Link Image
High Energy
Download File
Show Experimental Conditions Link Image
Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm (Predicted from LogP)
Biofluid Location Not Available
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Glycerolipid Metabolism
  • Glycine, Serine and Threonine Metabolism
  • Glyoxylate and Dicarboxylate Metabolism
HMDB Pathways
Name Glycerolipid Metabolism
Image Show Link Image
Name Glycine, Serine and Threonine Metabolism
Image Show Link Image
Name Glyoxylate and Dicarboxylate Metabolism
Image Show Link Image
KEGG Pathways
Name Glycerolipid Metabolism
Image Show Link Image
Name Glycine, Serine and Threonine Metabolism
Image Show Link Image
Name Glyoxylate and Dicarboxylate Metabolism
Image Show Link Image
SimCell Pathways
Name Glycerolipid Metabolism
Image Show Link Image
Graph
SBML
Name Glycine, Serine and Threonine Metabolism
Image Show Link Image
Graph Show Link Image
SBML Download (XML) Link Image
Name Glyoxylate and Dicarboxylate Metabolism
Image Show Link Image
Graph
SBML
General References
  1. Wikipedia Link Image