[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:157510)

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CHEBI:157510 - [(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate

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ChEBI ID	CHEBI:157510
ChEBI Name	[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C28H48N2O27S2
Net Charge	0
Average Mass	908.813
Monoisotopic Mass	908.18859
SMILES	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](COS(=O)(=O)O)O[C@H]1O
WURCS	WURCS=2.0/2,4,3/[a2122h-1b_1-5_2NCC/3=O_6OSO/3=O/3=O][a2112h-1b_1-5]/1-2-1-2/a4-b1_b3-c1_c4-d1
InChI	InChI=1S/C28H48N2O27S2/c1-7(33)29-13-17(37)22(11(51-25(13)42)5-49-58(43,44)45)56-28-21(41)24(16(36)10(4-32)53-28)57-26-14(30-8(2)34)18(38)23(12(54-26)6-50-59(46,47)48)55-27-20(40)19(39)15(35)9(3-31)52-27/h9-28,31-32,35-42H,3-6H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18-,19+,20-,21-,22-,23-,24+,25-,26+,27+,28+/m1/s1
InChIKey	KKHZLFAJLYDBOI-AVWCGHAOSA-N

ChEBI Ontology

Outgoing Relation(s)
	[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:157510) is a oligosaccharide sulfate (CHEBI:37909)

Synonyms	Source
beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranose	SUBMITTER
Gal(b1-4)GlcNAc6S(b1-3)Gal(b1-4)b-GlcNAc6S	SUBMITTER

Manual Xrefs	Databases
G33878MT	GlyTouCan