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CHEBI:39470 - disodium (α-D-galactopyranosyluronate)-(1→4)-α-D-galactopyranuronate

ChEBI IDCHEBI:39470
ChEBI Namedisodium (α-D-galactopyranosyluronate)-(1→4)-α-D-galactopyranuronate
Stars
ASCII Namedisodium (alpha-D-galactopyranosyluronate)-(1->4)-alpha-D-galactopyranuronate
DefinitionAn organic sodium salt comprising α-D-GalpA-(1→4)-α-D-GalpA(2−) ions and sodium ions in a 2:1 ratio.
Last Modified13 June 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC12H16O13.2Na
Net Charge0
Average Mass414.227
Monoisotopic Mass414.03863
SMILESO=C([O-])[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O.[Na+].[Na+]
InChIInChI=1S/C12H18O13.2Na/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21;;/h1-8,11-17,22H,(H,18,19)(H,20,21);;/q;2*+1/p-2/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-;;/m0../s1
InChIKeyNTIXLLFKQPXXAX-QMLOBEDSSA-L
ChEBI Ontology
Outgoing Relation(s)
disodium (α-D-galactopyranosyluronate)-(1→4)-α-D-galactopyranuronate (CHEBI:39470) has part α-D-GalpA-(1→4)-α-D-GalpA(2−) (CHEBI:39473)
disodium (α-D-galactopyranosyluronate)-(1→4)-α-D-galactopyranuronate (CHEBI:39470) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium (α-D-galactopyranosyluronate)-(1→4)-α-D-galactopyranuronate
Synonym  Source
disodium α-D,α-D-digalacturonateChEBI
Registry NumbersSources
Beilstein:39470Beilstein