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CHEBI:147722 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1,2,6-trihydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide
| Formula | C34H60N2O25 |
| Net Charge | 0 |
| Average Mass | 896.843 |
| Monoisotopic Mass | 896.34852 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](CO)NC(C)=O)[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]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/5,5,4/[h2122h_2*NCC/3=O][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-5/a3-b1_a4-c1_c4-d1_d6-e1 |
| InChI | InChI=1S/C34H60N2O25/c1-9-18(44)22(48)26(52)33(55-9)59-28(12(4-37)35-10(2)41)29(13(43)5-38)60-31-17(36-11(3)42)21(47)30(15(7-40)57-31)61-34-27(53)24(50)20(46)16(58-34)8-54-32-25(51)23(49)19(45)14(6-39)56-32/h9,12-34,37-40,43-53H,4-8H2,1-3H3,(H,35,41)(H,36,42)/t9-,12-,13+,14+,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,34-/m0/s1 |
| InChIKey | JYDKQZJBJGEDFC-FEYHDOBSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5S,6R)-2-[(2R,3R,4R,5S)-5-Acetamido-1,2,6-trihydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:147722) is a oligosaccharide (CHEBI:50699) |