N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153301)

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CHEBI:153301 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

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ChEBI ID	CHEBI:153301
ChEBI Name	N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
Submitter	Gareth Owen
Downloads	Molfile

Formula	C36H61N3O26
Net Charge	0
Average Mass	951.879
Monoisotopic Mass	951.35433
SMILES	CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O
WURCS	WURCS=2.0/3,5,4/[a2112h-1a_1-5_2NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2NCC/3=O]/1-2-3-3-2/a3-b1_a6-d1_b6-c1_d4-e1
InChI	InChI=1S/C36H61N3O26/c1-9(43)37-17-24(50)20(46)12(4-40)60-33(17)57-7-15-22(48)27(53)29(55)36(63-15)65-31-19(39-11(3)45)32(56)59-16(23(31)49)8-58-34-18(38-10(2)44)25(51)30(14(6-42)62-34)64-35-28(54)26(52)21(47)13(5-41)61-35/h12-36,40-42,46-56H,4-8H2,1-3H3,(H,37,43)(H,38,44)(H,39,45)/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26+,27+,28-,29-,30-,31-,32+,33-,34-,35+,36+/m1/s1
InChIKey	RASBVJSOLHPLBY-ZWGCGSRRSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6S)-5-Acetamido-2-[[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,6-dihydroxyoxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:153301) is a amino sugar (CHEBI:28963)

Synonyms	Source
2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose	SUBMITTER
GlcNAc(b1-6)Gal(b1-3)[Gal(b1-4)GlcNAc(b1-6)]a-GalNAc	SUBMITTER

Manual Xrefs	Databases
G69500TM	GlyTouCan
G69500TM	GlyGen