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CHEBI:150628 - N-[(3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:150628
ChEBI NameN-[(3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC34H58N2O26
Net Charge0
Average Mass910.826
Monoisotopic Mass910.32778
SMILESCC(=O)N[C@H]1C(OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/3,5,4/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1x_1-5_2*NCC/3=O]/1-2-2-3-2/a3-b1_a6-d1_b3-c1_d4-e1
InChIInChI=1S/C34H58N2O26/c1-8(41)35-15-21(47)27(60-32-24(50)22(48)17(43)10(3-37)56-32)13(6-40)59-31(15)54-7-14-20(46)28(16(30(53)55-14)36-9(2)42)61-34-26(52)29(19(45)12(5-39)58-34)62-33-25(51)23(49)18(44)11(4-38)57-33/h10-34,37-40,43-53H,3-7H2,1-2H3,(H,35,41)(H,36,42)/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19+,20+,21-,22+,23+,24-,25-,26-,27-,28-,29+,30?,31?,32+,33+,34+/m1/s1
InChIKeyKZYJJKOKYPEAJM-IKXWNAKYSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:150628) is a amino sugar (CHEBI:28963)
Synonyms  Source
beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranoseSUBMITTER
Gal(b1-3)Gal(b1-3)[Gal(b1-4)GlcNAc(?1-6)]GalNAcSUBMITTER
Manual XrefsDatabases
G39632ASGlyTouCan
G39632ASGlyGen