Record Information
Version2.0
Creation Date2012-08-09 09:16:16 -0600
Update Date2015-06-03 17:21:31 -0600
Secondary Accession Numbers
  • ECMDB21445
Identification
Name:Pectic acid
DescriptionPectic acid is also known as polygalacturonic acid. (Wikipedia) In E. coli, pectic acid can be produced from pectin in a reaction catalyzed by pectinesterase (EC 3.1.1.11). (KEGG)
Structure
Thumb
Synonyms:
  • (1,4-α-D-Galacturonosyl)n
  • 1,4-α-D-galacturonide
  • a Pectate
  • A pectic acid
  • A poly(1,4-α-D-galacturonate)
  • a Poly(1,4-α-D-galacturonic acid)
  • a-delta-Galactopyranuronate
  • a-delta-Galactopyranuronic acid
  • a-delta-Galacturonate
  • a-delta-Galacturonic acid
  • a-delta-Polygalacturonate
  • a-delta-Polygalacturonic acid
  • a-δ-Galactopyranuronate
  • a-δ-Galactopyranuronic acid
  • a-δ-Galacturonate
  • a-δ-Galacturonic acid
  • a-δ-Polygalacturonate
  • a-δ-Polygalacturonic acid
  • alpha-delta-Galactopyranuronate
  • Alpha-delta-galactopyranuronic acid
  • alpha-delta-Galacturonate
  • Alpha-delta-galacturonic acid
  • alpha-delta-Polygalacturonate
  • Alpha-delta-polygalacturonic acid
  • An α-D-polygalacturonate
  • An α-D-polygalacturonic acid
  • Calcium pectate
  • Calcium pectic acid
  • Calcium polygalacturonate
  • Calcium polygalacturonic acid
  • D-galacturonan
  • D-galacturonate
  • D-Galacturonic acid
  • Delta-galacturonan
  • Delta-galacturonate
  • Delta-Galacturonic acid
  • Galacturonan
  • Galacturonate
  • Galacturonic acid
  • Pectate
  • Poly(1,4-α-D-galacturonate)(n)
  • Poly(1,4-α-D-galacturonic acid)(N)
  • Poly(1,4-a-D-galacturonate)
  • Poly(1,4-a-D-galacturonic acid)
  • Poly(1,4-a-delta-galacturonate)
  • Poly(1,4-a-delta-galacturonic acid)
  • Poly(1,4-a-δ-galacturonate)
  • Poly(1,4-a-δ-galacturonic acid)
  • Poly(1,4-alpha-D-galacturonate)
  • Poly(1,4-alpha-D-galacturonic acid)
  • Poly(1,4-alpha-delta-galacturonate)
  • Poly(1,4-alpha-delta-galacturonic acid)
  • Poly(1,4-α-D-galacturonate)
  • Poly(1,4-α-D-galacturonic acid)
  • Poly(1,4-α-δ-galacturonate)
  • Poly(1,4-α-δ-galacturonic acid)
  • Polygalacturonate
  • Polygalacturonic acid
  • Sodium pectate
  • Sodium pectic acid
  • Sulfated polygalacturonate
  • Sulfated polygalacturonic acid
  • Sulphated polygalacturonate
  • Sulphated polygalacturonic acid
  • α-δ-Galactopyranuronate
  • α-δ-Galactopyranuronic acid
  • α-δ-Galacturonate
  • α-δ-Galacturonic acid
  • α-δ-Polygalacturonate
  • α-δ-Polygalacturonic acid
  • δ-Galacturonan
  • δ-Galacturonate
  • δ-Galacturonic acid
Chemical Formula:C6H10O7
Weight:Average: 194.1394
Monoisotopic: 194.042652674
InChI Key:AEMOLEFTQBMNLQ-BKBMJHBISA-N
InChI:InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1
CAS number:Not Available
IUPAC Name:(2S,3R,4S,5R,6S)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Traditional IUPAC Name:α-D-galacturonic acid
SMILES:O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
Chemical Taxonomy
Description belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyran
  • Monosaccharide
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
State:Solid
Charge:-1
Melting point:Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
Water Solubility295 g/LALOGPS
logP-2.3ALOGPS
logP-2.6ChemAxon
logS0.18ALOGPS
pKa (Strongest Acidic)3.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.79 m³·mol⁻¹ChemAxon
Polarizability16.27 ųChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
SMPDB Pathways:
Starch and sucrose metabolismPW000941 ThumbThumb?image type=greyscaleThumb?image type=simple
KEGG Pathways:
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a6s-5900000000-4145d7dbe91803d8047fView in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (5 TMS) - 70eV, Positivesplash10-000l-6242950000-7b610ed98440b47c2a32View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004j-0900000000-6a9a5aa935dacf9a0639View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004j-1900000000-089cf378755226bdb184View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-052r-9500000000-e57843f461582ce2d542View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0007-1900000000-ff3896e4e300eaf408f4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0035-4900000000-78473708a7867d8c7fc3View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-9200000000-47b1621c98981a6c3318View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-3900000000-64f3d0eb26f7bc8ca624View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a73-9300000000-329488f791f643b1c308View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4l-9000000000-474e82a5911096bc3b39View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-0900000000-2877a7e6d3ecd32cf172View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-000b-7900000000-d748e59637b495442c9eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03dl-9100000000-40ac961f184de816ed86View in MoNA
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
References
References:
  • Nakajima N, Ishihara K, Matsuura Y: Dietary-fiber-degrading enzymes from a human intestinal Clostridium and their application to oligosaccharide production from nonstarchy polysaccharides using immobilized cells. Appl Microbiol Biotechnol. 2002 Jul;59(2-3):182-9. Epub 2002 May 3. Pubmed: 12111144
  • Serban D, Rordorf-Adam C: Binding characteristics of human serum amyloid P component. Scand J Immunol. 1987 Mar;25(3):275-81. Pubmed: 3105045
  • van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. Pubmed: 17765195
Synthesis Reference:Not Available
Material Safety Data Sheet (MSDS)Not Available
External Links:
ResourceLink
CHEBI ID62969
HMDB IDHMDB03363
Pubchem Compound ID445929
Kegg IDC00470
ChemSpider ID393411
WikipediaPectate
BioCyc IDPECTATE
EcoCyc IDPECTATE
Ligand ExpoADA

Enzymes

General function:
Involved in pectinesterase activity
Specific function:
Putative thioesterase. Does not bind pectin, and has no pectinesterase activity
Gene Name:
ybhC
Uniprot ID:
P46130
Molecular weight:
46082