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CHEBI:148512 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148512
ChEBI NameN-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC40H68N2O30
Net Charge0
Average Mass1056.968
Monoisotopic Mass1056.38569
SMILESCC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/4,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a1122h-1a_1-5][a1122h-1b_1-5]/1-2-1-3-3-4/a3-b1_a4-c1_c4-d1_d2-e1_d3-f1
InChIInChI=1S/C40H68N2O30/c1-9-19(50)24(55)27(58)37(62-9)70-32-18(42-11(3)49)35(61)63-16(8-47)31(32)69-36-17(41-10(2)48)23(54)30(15(7-46)67-36)68-40-34(72-39-29(60)26(57)21(52)13(5-44)65-39)33(22(53)14(6-45)66-40)71-38-28(59)25(56)20(51)12(4-43)64-38/h9,12-40,43-47,50-61H,4-8H2,1-3H3,(H,41,48)(H,42,49)/t9-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28-,29-,30+,31+,32+,33-,34-,35+,36-,37-,38-,39+,40+/m0/s1
InChIKeyUYJHRFZBURZCML-QQJOZRMZSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2R,3S,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148512) is a amino sugar (CHEBI:28963)
Synonyms  Source
Man(a1-2)[Man(b1-3)]Man(a1-4)GlcNAc(b1-4)[Fuc(a1-3)]b-GlcNAcSUBMITTER
alpha-D-manno-hexopyranosyl-(1->2)-[beta-D-manno-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Manual XrefsDatabases
G28736DKGlyTouCan
G28736DKGlyGen