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CHEBI:147942 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-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](O[C@@H]([C@@H](O)[C@H](O)CO)[C@@H](O)CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,5,4/[h2112h][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-2-2/a3-b1_b4-c1_c3-d1_c6-e1 |
| InChI | InChI=1S/C36H63N3O26/c1-10(45)37-19-26(54)23(51)15(6-42)59-33(19)58-9-18-25(53)32(65-34-20(38-11(2)46)27(55)24(52)16(7-43)60-34)29(57)36(62-18)64-31-17(8-44)61-35(21(28(31)56)39-12(3)47)63-30(14(49)5-41)22(50)13(48)4-40/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+/m1/s1 |
| InChIKey | YXNOVYXNRLXOEO-SRLFXVICSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6S)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3R,4S,5R)-1,2,4,5,6-pentahydroxyhexan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:147942) is a oligosaccharide (CHEBI:50699) |