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Record Information
Version1.0
Creation Date2016-09-30 22:18:54 UTC
Update Date2020-03-20 00:58:55 UTC
MCDB ID BMDB0000044
Secondary Accession Numbers
  • BMDB00044
  • BMDB0014273
  • BMDB14273
Metabolite Identification
Common NameAscorbic acid
DescriptionAscorbic acid, also known as ascorbate, belongs to the class of organic compounds known as furanones. Furanones are compounds containing a furan ring bearing a ketone group. Ascorbic acid is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Dopamine and ascorbic acid can be converted into norepinephrine and dehydroascorbic acid through the action of the enzyme dopamine beta-hydroxylase. In cattle, ascorbic acid is involved in the metabolic pathway called the tyrosine metabolism pathway.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC6H8O6
Average Molecular Weight176.1241
Monoisotopic Molecular Weight176.032087988
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5+/m0/s1
InChI KeyCIWBSHSKHKDKBQ-JLAZNSOCSA-N
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectrum TypeDescriptionSplash KeyView
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-004i-4900000000-e99089fd55560fb70cfeJSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0912000000-baa8cffda0478e1bc197JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9400000000-8ff8f48bfa2dd4fd3cf5JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9400000000-c1dc72c6cbc49fbf3454JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9400000000-b207f4024993c5a74769JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0911000000-9af0c08e85e0c51a25c4JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-004i-4900000000-e99089fd55560fb70cfeJSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0912000000-baa8cffda0478e1bc197JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9400000000-8ff8f48bfa2dd4fd3cf5JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9400000000-c1dc72c6cbc49fbf3454JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-00di-9400000000-b207f4024993c5a74769JSpectraViewer | MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-0002-0911000000-9af0c08e85e0c51a25c4JSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0560-9700000000-ab53eee999ee7fee672dJSpectraViewer | MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (4 TMS) - 70eV, Positivesplash10-0kkj-9357500000-5c2c439f726b729dd50dJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0kdi-2900000000-f05a720e6e6361c97e5fJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0bvl-5900000000-6ca3f37a74403d8495c9JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9100000000-5625440c512f60760fdfJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0o90-2900000000-b7c897849334927f5bf5JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0bvi-4900000000-1f1fa10e7e06a79c028aJSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-08fu-9300000000-b98375c0cd3a54b61ef7JSpectraViewer | MoNA
Concentrations
StatusValueReferenceDetails
Detected and Quantified22.71 +/- 1.42 uM details
Detected and Quantified34 +/- 1.7 uM details
Detected and Quantified153 uM
  • Int. Dairy Journa...
details
Detected and Quantified51 uM details
Detected and Quantified51 uM details
Detected and Quantified57 uM details
Detected and Quantified51 uM details
Detected and Quantified68 uM details
Detected and Quantified57 uM details
Detected and Quantified63 uM details
Detected and Quantified57 uM details
Detected and Quantified74 uM details
Detected and Quantified74 uM details
Detected and Quantified85 uM details
Detected and Quantified63 uM details
Detected and Quantified57 uM details
Detected and Quantified63 uM details
Detected and Quantified11 uM details
Detected and Quantified11 uM details
Detected and Quantified74 uM details
Detected and Quantified74 uM details
Detected and Quantified74 uM details
Detected and Quantified68 uM details
Detected and Quantified68 uM details
Detected and Quantified68 uM details
Detected and Quantified53 uM
  • Park, Y. W; Juáre...
details
Detected and Quantified53 - 56 uM details
Detected and Quantified62 - 129 uM details
Detected and Quantified34.7 +/- 0.2 uM details
Detected and Quantified39 +/- 1 uM details
Detected and Quantified34.0 +/- 0.3 uM details
Detected and Quantified8.2 +/- 0.3 uM details
External LinksNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Bilic N: Assay for both ascorbic and dehydroascorbic acid in dairy foods by high-performance liquid chromatography using precolumn derivatization with methoxy- and ethoxy-1,2-phenylenediamine. J Chromatogr. 1991 May 10;543(2):367-74. [PubMed:1880195 ]
  2. Gaucheron F: Milk and dairy products: a unique micronutrient combination. J Am Coll Nutr. 2011 Oct;30(5 Suppl 1):400S-9S. [PubMed:22081685 ]
  3. Weiss WP, Hogan JS, Smith KL: Changes in vitamin C concentrations in plasma and milk from dairy cows after an intramammary infusion of Escherichia coli. J Dairy Sci. 2004 Jan;87(1):32-7. doi: 10.3168/jds.S0022-0302(04)73138-0. [PubMed:14765807 ]
  4. Ingela Andersson, R. Öste (1994). Int. Dairy Journal 4 (1994) 161-172. International Dairy Journal.
  5. A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
  6. Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
  7. USDA Food Composition Databases [Link]
  8. Fooddata+, The Technical University of Denmark (DTU) [Link]