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D-Galacturonic acid (PC000732)

Record Information
Version1.0
Creation date2015-10-09 22:32:17 UTC
Update date2017-01-19 02:36:34 UTC
FoodComEx IDPC000732
FoodDB RecordFDB001161
Chemical Information
NameD-Galacturonic acid
Descriptionobtained from the hydrolysis prods. of polymers of pectic substances D-Galacturonic acid is a sugar acid, an oxidized form of D-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. It has an aldehyde group at C1 and a carboxylic acid group at C6. Other oxidized forms of D-galactose are D-galactonic acid (carboxylic group at C1) and meso-galactaric acid (mucic acid) (carboxylic groups at C1 and C6). It is also a uronic acid or hexuronic acid. Naturally occurring uronic acids are D-glucuronic acid, D-galacturonic acid, L-iduronic acid and D-mannuronic acid.; D-Galacturonic acid is a sugar acid, the oxidized form of D-galactose. It is the main component of pectin, in which it exists as the polymer polygalacturonic acid. -- Wikipedia. D-Galacturonic acid is found in many foods, some of which are guava, yellow wax bean, common pea, and green bean.
CAS Number14982-50-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(2S,3R,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoateGenerator
(2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoic acidbiospider
3,5-Dideoxy-5-((hydroxyacetyl)amino)-D-glycero-D-galacto-2-nonulosonateHMDB
3,5-Dideoxy-5-((hydroxyacetyl)amino)-D-glycero-D-galacto-2-nonulosonic acidHMDB
Aldehydo-D-galacturonateGenerator
Aldehydo-d-galacturonic acidbiospider
D-galactopyranuronic acidbiospider
D-GalacturonateGenerator
D-Galacturonic acidbiospider
D-galacturonic acid, homopolymerbiospider
DL-galacturonic acidbiospider
Galactopyranuronic acid, d-biospider
Galacturonic acidbiospider
Galacturonic acid, d-biospider
N-Glycolyl-5-neuraminateHMDB
N-Glycolyl-5-neuraminic acidHMDB
N-Glycolyl-b-neuraminateGenerator
N-Glycolyl-b-neuraminic acidGenerator
N-Glycolyl-beta-neuraminateGenerator
N-Glycolyl-beta-neuraminic acidChEBI
N-Glycolyl-β-neuraminateGenerator
N-Glycolyl-β-neuraminic acidGenerator
N-Glycolylneuraminic acidChEBI
Neu5gcChEBI
Chemical FormulaC18H30O21
IUPAC name2,3,4,5-tetrahydroxy-6-oxohexanoic acid; 2-hydroxy-2-(3,4,5-trihydroxyoxolan-2-yl)acetic acid; 3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
InChI IdentifierInChI=1S/3C6H10O7/c7-1-2(8)6(12)13-4(1)3(9)5(10)11;7-1-2(8)4(5(10)11)13-6(12)3(1)9;7-1-2(8)3(9)4(10)5(11)6(12)13/h2*1-4,6-9,12H,(H,10,11);1-5,8-11H,(H,12,13)
InChI KeyTYNHVGLYUDYTJD-UHFFFAOYSA-N
Isomeric SMILESOC(C=O)C(O)C(O)C(O)C(O)=O.OC(C1OC(O)C(O)C1O)C(O)=O.OC1OC(C(O)C(O)C1O)C(O)=O
Average Molecular Weight582.4182
Monoisotopic Molecular Weight582.127958022
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
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Hydroxy fatty acid
  • Beta-hydroxy acid
  • Alpha-hydroxy acid
  • Beta-hydroxy aldehyde
  • Hydroxy acid
  • Monosaccharide
  • Fatty acid
  • Fatty acyl
  • Pyran
  • Oxane
  • Tetrahydrofuran
  • Alpha-hydroxyaldehyde
  • Hemiacetal
  • Secondary alcohol
  • Oxacycle
  • Carboxylic acid derivative
  • Carboxylic acid
  • Organoheterocyclic compound
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carbonyl group
  • Aldehyde
  • Organic oxide
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointMp 156-159 dec. (sinters at 110°)DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
Not Available