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CHEBI:157422 - N-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide

Default Structure
ChEBI IDCHEBI:157422
ChEBI NameN-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H61N3O25
Net Charge0
Average Mass935.880
Monoisotopic Mass935.35941
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](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]4NC(C)=O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2NC(C)=O)O[C@H]1O
WURCSWURCS=2.0/5,5,4/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3-4-5/a6-b1_b3-c1_c2-d1_c3-e1
InChIInChI=1S/C36H61N3O25/c1-9-20(46)27(53)28(54)35(57-9)64-31-30(63-34-18(38-11(3)44)26(52)21(47)13(5-40)60-34)24(50)15(7-42)61-36(31)62-29-19(39-12(4)45)33(59-14(6-41)23(29)49)56-8-16-22(48)25(51)17(32(55)58-16)37-10(2)43/h9,13-36,40-42,46-55H,5-8H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/t9-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24-,25+,26+,27+,28-,29+,30-,31+,32+,33+,34+,35-,36-/m0/s1
InChIKeyACNWFTWXQHDZDM-KGGHUSEUSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide (CHEBI:157422) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-alpha-D-galacto-hexopyranosyl-(1->3)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranoseSUBMITTER
Fuc(a1-2)[GalNAc(a1-3)]Gal(b1-3)GlcNAc(b1-6)b-GalNAcSUBMITTER
Manual XrefsDatabases
G10453CWGlyTouCan
G10453CWGlyGen