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(2-) (CHEBI:61054)

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CHEBI:61054 - 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−)

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ChEBI ID	CHEBI:61054
ChEBI Name	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−)
Stars
ASCII Name	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(2-)
Definition	A doubly-charged organosulfate oxoanion arising from deprotonation of the sulfate OH groups 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 Modified	19 January 2011
Submitter	Steve
Downloads	Molfile

Formula	C28H46N2O27S2
Net Charge	-2
Average Mass	906.797
Monoisotopic Mass	906.17403
SMILES	CC(=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
InChI	InChI=1S/C28H48N2O27S2/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)/p-2/t9-,10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22-,23-,24-,25-,26-,27+,28+/m1/s1
InChIKey	FNKSDORESPCROL-DRPJQWSUSA-L

ChEBI Ontology

Outgoing Relation(s)
	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) is a organosulfate oxoanion (CHEBI:58958)
	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) is conjugate base 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 (CHEBI:61055)
Incoming 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)
	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 (CHEBI:61055) is conjugate acid of 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)

IUPAC Name
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
6-O-O₃S-β-D-Glc-(1→3)-[6-O-O₃S-β-D-Glc-(1→3)-β-D-GlcNAc-(1→6)]-β-D-GalNAc(2−)	ChEBI