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CHEBI:61052 - disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine

ChEBI IDCHEBI:61052
ChEBI Namedisodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine
Stars
ASCII Namedisodium 6-O-sulfonato-beta-D-glucosyl-(1->3)-[6-O-sulfonato-beta-D-glucosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->6)]-N-acetyl-beta-D-galactosamine
DefinitionAn organic sodium salt comprising the disodium salt of 6-O-sulfo-β-D-glucosyl-(1→3)-[6-O-sulfo-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine
Last Modified19 January 2011
SubmitterSteve
DownloadsMolfile
FormulaC28H46N2O27S2.2Na
Net Charge0
Average Mass952.777
Monoisotopic Mass952.15247
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)O[C@H]1O.[Na+].[Na+]
InChIInChI=1S/C28H48N2O27S2.2Na/c1-7(32)29-13-23(56-27-21(40)19(38)15(34)11(54-27)5-50-58(43,44)45)18(37)10(52-25(13)42)4-49-26-14(30-8(2)33)24(17(36)9(3-31)53-26)57-28-22(41)20(39)16(35)12(55-28)6-51-59(46,47)48;;/h9-28,31,34-42H,3-6H2,1-2H3,(H,29,32)(H,30,33)(H,43,44,45)(H,46,47,48);;/q;2*+1/p-2/t9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28+;;/m1../s1
InChIKeyFBWQYROMSQCSTM-XTBFJDAWSA-L
ChEBI Ontology
Outgoing Relation(s)
disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine (CHEBI:61052) has part 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine(2−) (CHEBI:61054)
disodium 6-O-sulfonato-β-D-glucosyl-(1→3)-[6-O-sulfonato-β-D-glucosyl-(1→3)-N-acetyl-β-D-galactosaminyl-(1→6)]-N-acetyl-β-D-galactosamine (CHEBI:61052) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
disodium 6-O-sulfonato-β-D-glucopyranosyl-(1→3)-[6-O-sulfonato-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-galactopyranose
Synonym  Source
Na2 6-O-O3S-β-D-Glc-(1→3)-[6-O-O3S-β-D-Glc-(1→3)-β-D-GlcNAc-(1→6)]-β-D-GalNAcChEBI
Citations