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CHEBI:137066 - Na2[β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc]

ChEBI IDCHEBI:137066
ChEBI NameNa2[β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc]
Stars
ASCII NameNa2[beta-D-GlcA3S-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc]
DefinitionAn organic sodium salt that is the disodium salt of β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc.
Last Modified17 May 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC20H31NO20S.2Na
Net Charge0
Average Mass683.502
Monoisotopic Mass683.09555
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@H]3O)[C@H]2O)[C@@H]1O.[Na+].[Na+]
InChIInChI=1S/C20H33NO20S.2Na/c1-4(24)21-7-9(26)13(6(3-23)36-18(7)32)38-19-11(28)14(8(25)5(2-22)37-19)39-20-12(29)15(41-42(33,34)35)10(27)16(40-20)17(30)31;;/h5-16,18-20,22-23,25-29,32H,2-3H2,1H3,(H,21,24)(H,30,31)(H,33,34,35);;/q;2*+1/p-2/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+,15+,16+,18?,19+,20-;;/m1../s1
InChIKeySVCWZHHDCGNCDN-KJCVKZQISA-L
ChEBI Ontology
Outgoing Relation(s)
Na2[β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc] (CHEBI:137066) has part β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc(2−) (CHEBI:137065)
Na2[β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc] (CHEBI:137066) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
(disodium 3-O-sulfonato-β-D-glucopyranosyluronate)-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose
Synonyms  Source
(disodium 3-O-sulfonato-β-D-glucosyluronate)-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamineChEBI
Na2[β-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc]IUPAC
HNK-1 disodium saltChEBI
Citations