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Bovine Rumen Metabolome Database



Showing metabocard for D-Lactic acid (RMDB01311)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-11-04 14:16:37
Accession Number RMDB01311
Common Name D-Lactic acid
Description D-Lactic acid is the end product of the enzyme Glyoxalase II ([EC:3.1.2.6] hydroxyacyl-glutathione hydrolase) which converts the intermediate substrate S-lactoyl-glutathione to reduced glutathione and D-lactate. (OMIM 138790)
Synonyms
  1. (-)-Lactate
  2. (-)-Lactic acid
  3. (R)-(-)-Lactate
  4. (R)-(-)-Lactic acid
  5. (R)-2-Hydroxypropanoate
  6. (R)-2-Hydroxypropanoic acid
  7. (R)-2-Hydroxypropionate
  8. (R)-2-Hydroxypropionic acid
  9. (R)-Lactate
  10. (R)-Lactic acid
  11. (R)-a-Hydroxypropionate
  12. (R)-a-Hydroxypropionic acid
  13. (R)-alpha-Hydroxypropionate
  14. (R)-alpha-Hydroxypropionic acid
  15. D-(-)-Lactate
  16. D-(-)-Lactic acid
  17. D-2-Hydroxypropanoate
  18. D-2-Hydroxypropanoic acid
  19. D-2-Hydroxypropionate
  20. D-2-Hydroxypropionic acid
  21. D-Lactate
  22. D-Lactic acid
  23. DLA
  24. L-(+)-Lactate
  25. L-Lactic acid
  26. Propel
  27. Tisulac
  28. delta-(-)-Lactate
  29. delta-(-)-Lactic acid
  30. delta-2-Hydroxypropanoate
  31. delta-2-Hydroxypropanoic acid
  32. delta-2-Hydroxypropionate
  33. delta-2-Hydroxypropionic acid
  34. delta-Lactate
  35. delta-Lactic acid
Chemical IUPAC Name (2R)-2-hydroxypropanoic acid
Chemical Formula C3H6O3
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Organic acids
Class
  • Hydroxy Acids
Sub Class
  • Short chain hydroxy acids
Family
  • Mammalian_Metabolite
Species
  • secondary alcohol; carboxylic acid; alpha-hydroxyacid
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 90.078
Monoisotopic Molecular Weight 90.031693
Isomeric SMILES C[C@@H](O)C(O)=O
Canonical SMILES CC(O)C(O)=O
KEGG Compound ID C00256 Link Image
BioCyc ID D-LACTATE Link Image
BiGG ID 34414 Link Image
Wikipedia Link DLA Link Image
METLIN ID 6150 Link Image
PubChem Compound 61503 Link Image
PubChem Substance 8187556 Link Image
ChEBI ID 341 Link Image
CAS Registry Number 10326-41-7
InChI Identifier InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m1/s1
Synthesis Reference Hsieh, Chun Lung; Houng, Jer Yiing. Preparation of D-lactic acid from D,L-lactic acid ester using wheat germ or pancreatic lipase. U.S. (1997), 5 pp.
Melting Point (Experimental) 52.8 C
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1000.0 mg/mL [MEYLAN,WM et al. (1996)]; 562.0 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -1
State Solid
Experimental LogP/Hydrophobicity Not Available Source: PhysProp
Predicted LogP/Hydrophobicity -0.79 [Predicted by ALOGPS]; -0.6 [Predicted by PubChem via XLOGP]; -0.65 [MEYLAN,WM & HOWARD,PH (1995)] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show Link Image
SDF File Show Link Image
PDB File Show Link Image
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Not Available
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Not Available
Predicted 1H NMR Spectrum Show Image
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Predicted 13C NMR Spectrum Show Image
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Mass Spectrum
Low Energy
Download File
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Medium Energy
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High Energy
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Simplified TOCSY Spectrum Not Available
BMRB Spectrum Not Available
Cellular Location
  • Cytoplasm (Predicted from LogP)
  • Extracellular
  • mitochondria
Biofluid Location
  • Rumen
Tissue Location
Concentrations (Normal)
Biofluid Rumen
Value 3560+/-270 uM
Age N/A
Sex Both
Condition Normal
Breed Not Available
Experimental Condition Not Available
Comments Not Available
References
Concentrations (Abnormal) Not Available
Pathway Names Not Available
HMDB Pathways Not Available
KEGG Pathways Not Available
SimCell Pathways Not Available
General References
  1. Wikipedia Link Image