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CHEBI:152195 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2S,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-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:152195
ChEBI NameN-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2S,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-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC39H66N2O29
Net Charge0
Average Mass1026.942
Monoisotopic Mass1026.37512
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]3OC[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=2.0/5,6,5/[a2122h-1b_1-5_2*NCC/3=O][a1221m-1b_1-5][a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a212h-1b_1-5]/1-2-3-4-5-4/a3-b1_a4-c1_c4-d1_d2-e1_d3-f1
InChIInChI=1S/C39H66N2O29/c1-9-19(49)24(54)27(57)37(61-9)68-31-18(41-11(3)47)34(59)62-16(7-45)30(31)67-35-17(40-10(2)46)23(53)29(15(6-44)65-35)66-39-33(70-36-26(56)20(50)12(48)8-60-36)32(22(52)14(5-43)64-39)69-38-28(58)25(55)21(51)13(4-42)63-38/h9,12-39,42-45,48-59H,4-8H2,1-3H3,(H,40,46)(H,41,47)/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-/m0/s1
InChIKeyJRVNPECQJBJMOY-VEMULKNRSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6R)-5-Acetamido-6-hydroxy-2-(hydroxymethyl)-4-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4-hydroxy-5-[(2S,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-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152195) is a amino sugar (CHEBI:28963)
Synonyms  Source
beta-D-xylo-pentopyranosyl-(1->2)-[beta-D-manno-hexopyranosyl-(1->3)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-beta-L-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
Xyl(b1-2)[Man(b1-3)]Man(b1-4)GlcNAc(a1-4)[Fuc(b1-3)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G60631ACGlyTouCan
G60631ACGlyGen