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 Glycolic acid (BMDB00115)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-08-26 12:23:24
Accession Number BMDB00115
Common Name Glycolic acid
Description Glycolic acid (or hydroxyacetic acid) is the smallest alpha-hydroxy acid (AHA). In its pure form, glycolic acid is a colorless crystalline solid. Due to its excellent capability to penetrate skin, glycolic acid finds applications in skin care products, most often as a chemical peel. Glycolic acid is also used for tattoo removal.
Synonyms
  1. 2-Hydroxyacetate
  2. 2-Hydroxyacetic acid
  3. GlyPure
  4. GlyPure 70
  5. Glycocide
  6. Glycolate
  7. Glycollate
  8. Glycolic acid
  9. Glycollic acid
  10. Hydroxyacetate
  11. Hydroxyacetic acid
  12. Hydroxyethanoate
  13. Hydroxyethanoic acid
  14. a-Hydroxyacetate
  15. a-Hydroxyacetic acid
  16. Sodium glycolate
  17. alpha-Hydroxyacetate
  18. alpha-Hydroxyacetic acid
Chemical IUPAC Name Hydroxy-acetic acid
Chemical Formula C2H4O3
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; carboxylic acid; alpha-hydroxyacid
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 76.051
Monoisotopic Molecular Weight 76.016045
Isomeric SMILES OCC(O)=O
Canonical SMILES OCC(O)=O
KEGG Compound ID C00160 Link Image
BioCyc ID GLYCOLLATE Link Image
BiGG ID 34090 Link Image
Wikipedia Link Glycolic acid Link Image
METLIN ID 3219 Link Image
PubChem Compound 757 Link Image
PubChem Substance 8145512 Link Image
ChEBI ID 29805 Link Image
CAS Registry Number 79-14-1
InChI Identifier InChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
Synthesis Reference Witzemann, Edgar J. Preparation of glycollic acid. Journal of the American Chemical Society (1917), 39 109-12.
Melting Point (Experimental) 75-80 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1000.0 mg/mL [MEYLAN,WM et al. (1996)]; 608.0 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge -1
State Solid
Experimental LogP/Hydrophobicity -1.11 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP/Hydrophobicity -1.02 [Predicted by ALOGPS]; -1.1 [Predicted by PubChem via XLOGP] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID 1QKI Link Image
Experimental PDB File Show
Experimental PDB Structure
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)
  • mitochondria
  • peroxisome
Biofluid Location Not Available
Tissue Location
Tissue References
Bladder
Epidermis
Fibroblasts
Liver
Skin
Stratum Corneum
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Glyoxylate and Dicarboxylate Metabolism
HMDB Pathways
Name Glyoxylate and Dicarboxylate Metabolism
Image Show Link Image
KEGG Pathways
Name Glyoxylate and Dicarboxylate Metabolism
Image Show Link Image
SimCell Pathways
Name Glyoxylate and Dicarboxylate Metabolism
Image Show Link Image
Graph
SBML
General References
  1. Wikipedia Link Image
Metabolic Enzymes
  1. Phosphoglycolate phosphatase
Enzyme 1 [top]
Enzyme 1 ID 90
Enzyme 1 Name Phosphoglycolate phosphatase
Enzyme 1 Synonyms
  1. PGPase
  2. PGP
Enzyme 1 Gene Name PGP
Enzyme 1 Protein Sequence >Phosphoglycolate phosphatase
MAEAEAGGDDGRCVRLNAERAQALLADVDTLLFDCDGVLWRGETAVPGAPETLTALRARG
KRLAFITNNSSKTREAYAEKLRCLGFGAPAGPDAGREVFGTAYCTALYLRQRLTGPPAPK
AYVLGSVALAAELEAVGVSCVGVGPEPLLGDGPGAWLDAPLEPDVRAVVVGFDPHFSYMK
LTKAVRYLQQPDCLLVGTNMDNRLPLENGRFIAGTGCLVRAVEMAAQRQADIIGKPSRFI
FDCVSQEYGIHPERTVMVGDRLDTDILLGVTCGLKTILTLTGVSSLRDVKSNQESDCMAK
KKMVPDFYVDSIADLLPALQG
Enzyme 1 Number of Residues 321
Enzyme 1 Molecular Weight 34320.1
Enzyme 1 Theoretical pI 4.95
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Carbohydrate transport and metabolism
Enzyme 1 Specific Function 2-phosphoglycolate + H(2)O = glycolate + phosphate
Enzyme 1 Pathways Not Available
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 83405746 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q2T9S4 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name PGP_BOVIN Link Image
Enzyme 1 PDB ID Not Available
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >966 bp
ATGGCGGAGGCGGAGGCTGGCGGCGACGACGGCCGCTGCGTGCGGCTGAACGCCGAGCGG
GCCCAGGCGCTGCTGGCCGACGTGGACACGCTGCTGTTCGACTGCGACGGCGTGCTGTGG
CGCGGCGAGACGGCGGTGCCCGGCGCGCCCGAGACCCTGACGGCGCTGAGGGCCCGCGGC
AAGCGCCTCGCCTTCATCACCAACAACAGCAGCAAGACCCGCGAGGCTTACGCCGAAAAG
CTGAGGTGCCTGGGCTTCGGCGCCCCGGCGGGGCCCGACGCCGGTCGCGAGGTCTTCGGC
ACGGCCTACTGCACCGCGCTCTACCTGCGCCAGCGCCTGACTGGCCCGCCGGCCCCCAAG
GCCTACGTGCTGGGCAGCGTGGCCCTGGCCGCCGAGCTGGAGGCCGTGGGCGTCTCCTGC
GTGGGCGTGGGGCCCGAGCCGCTGCTGGGCGATGGCCCCGGCGCCTGGCTGGACGCGCCC
CTGGAGCCCGATGTGCGCGCCGTCGTGGTGGGCTTCGATCCGCACTTCAGCTACATGAAG
CTCACCAAGGCCGTGCGCTACCTGCAACAGCCCGACTGCCTGCTTGTGGGCACCAACATG
GACAACCGACTCCCCCTGGAGAACGGCCGCTTCATCGCGGGTACCGGCTGTCTGGTCCGA
GCCGTGGAGATGGCCGCCCAGCGCCAAGCCGACATCATAGGGAAGCCCAGCCGCTTCATC
TTCGATTGCGTGTCCCAGGAGTACGGCATCCACCCAGAGCGTACCGTCATGGTGGGCGAC
CGCCTGGACACAGACATCCTCCTGGGCGTGACCTGTGGTCTGAAGACCATCCTGACCCTC
ACGGGTGTCTCCAGTCTGCGAGACGTGAAAAGTAATCAGGAAAGTGACTGCATGGCTAAG
AAGAAAATGGTCCCTGACTTCTATGTTGACAGCATAGCCGACCTTTTGCCTGCCCTTCAA
GGTTAA
Enzyme 1 GenBank Gene ID BC111291 Link Image
Enzyme 1 GeneCard ID PGP Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:1
Enzyme 1 Locus 16p13.3
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References Not Available
Enzyme 1 Metabolite References Not Available