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CHEBI:148062 - N-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

ChEBI IDCHEBI:148062
ChEBI NameN-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC40H68N2O31
Net Charge0
Average Mass1072.967
Monoisotopic Mass1072.38060
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1O
WURCSWURCS=2.0/3,6,5/[a2122h-1a_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-2-2/a4-b1_b4-c1_c4-d1_c6-f1_d4-e1
InChIInChI=1S/C40H68N2O31/c1-9(48)41-17-21(52)31(13(5-45)64-35(17)62)70-36-18(42-10(2)49)22(53)32(14(6-46)67-36)71-40-30(61)26(57)34(16(69-40)8-63-37-27(58)23(54)19(50)11(3-43)65-37)73-39-29(60)25(56)33(15(7-47)68-39)72-38-28(59)24(55)20(51)12(4-44)66-38/h11-40,43-47,50-62H,3-8H2,1-2H3,(H,41,48)(H,42,49)/t11-,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+/m1/s1
InChIKeyRIGUOVQWWLKILK-XZBHUXHKSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5S,6R)-5-[(2R,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148062) is a amino sugar (CHEBI:28963)
Synonyms  Source
beta-D-manno-hexopyranosyl-(1->4)-alpha-D-manno-hexopyranosyl-(1->4)-[beta-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-gluco-hexopyranoseSUBMITTER
Man(b1-4)Man(a1-4)[Man(b1-6)]Man(b1-4)GlcNAc(a1-4)a-GlcNAcSUBMITTER
Manual XrefsDatabases
G13278OUGlyTouCan
G13278OUGlyGen