CHEBI:47954 - β-D-galacturonic acid

ChEBI IDCHEBI:47954
ChEBI Nameβ-D-galacturonic acid
Stars
ASCII Namebeta-D-galacturonic acid
DefinitionA D-galactopyranuronic acid with a β-configuration at the anomeric center.
Last Modified28 July 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC6H10O7
Net Charge0
Average Mass194.139
Monoisotopic Mass194.04265
SMILESO=C(O)[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
WURCSWURCS=2.0/1,1,0/[a2112A-1b_1-5]/1/
InChIInChI=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
InChIKeyAEMOLEFTQBMNLQ-DTEWXJGMSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
algal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in algae including unicellular organisms like chlorella and diatoms to multicellular organisms like giant kelps and brown algae.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
β-D-galacturonic acid (CHEBI:47954) is a D-galactopyranuronic acid (CHEBI:4153)
β-D-galacturonic acid (CHEBI:47954) is conjugate acid of β-D-galacturonate (CHEBI:85312)
Incoming Relation(s)
β-D-galacturonate (CHEBI:85312) is conjugate base of β-D-galacturonic acid (CHEBI:47954)
IUPAC Name 
β-D-galactopyranuronic acid
Manual XrefsDatabases
C08348KEGG COMPOUND
GTRPDBeChem
Registry NumbersSources
Beilstein:1427743Beilstein
Reaxys:8136236Reaxys
CAS:14982-50-4KEGG COMPOUND