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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Download Molfile XML SDF
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
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Last Modified
17 May 2017