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CHEBI:148936 - N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C36H63N3O26 |
| Net Charge | 0 |
| Average Mass | 953.895 |
| Monoisotopic Mass | 953.36998 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[C@H](O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O[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]4O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-3/a6-b1_b4-c1_c3-d1_d3-e1 |
| InChI | InChI=1S/C36H63N3O26/c1-10(45)37-13(4-40)21(49)22(50)14(48)9-58-33-19(38-11(2)46)26(54)30(18(8-44)62-33)63-36-29(57)32(25(53)17(7-43)61-36)65-34-20(39-12(3)47)31(24(52)16(6-42)59-34)64-35-28(56)27(55)23(51)15(5-41)60-35/h13-36,40-44,48-57H,4-9H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t13-,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 |
| InChIKey | HYEWOSMDKUKQGO-PHHOWQKSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2R,3R,4R,5S)-5-acetamido-2,3,4,6-tetrahydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148936) is a oligosaccharide (CHEBI:50699) |