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

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ChEBI Name Na2[β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc] ChEBI ID CHEBI:137066 ChEBI ASCII Name Na2[beta-D-GlcA3S-(1->3)-beta-D-Gal-(1->4)-D-GlcNAc] Definition An organic sodium salt that is the disodium salt of β-D-GlcA3S-(1→3)-β-D-Gal-(1→4)-D-GlcNAc. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ZINC000008551120 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C20H31NNa2O20S Net Charge 0 Average Mass 683.501 Monoisotopic Mass 683.09555 InChI InChI=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 InChIKey SVCWZHHDCGNCDN-KJCVKZQISA-L SMILES OC1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C([O-])=O)O)OS(=O)(=O)[O-])O)O)O)NC(=O)C.[Na+].[Na+] ChEBI Ontology Outgoing 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 Sources (disodium 3-O-sulfonato-β-D-glucosyluronate)-(1→3)-β-D-galactosyl-(1→4)-N-acetyl-D-glucosamine ChEBI HNK-1 disodium salt ChEBI Na2[β-D-GlcpA3S-(1→3)-β-D-Galp-(1→4)-D-GlcpNAc] IUPAC Citation Last Modified 17 May 2017