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CHEBI:152046 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-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]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)[C@@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2-4/a3-b1_b2-c1_b3-d1_d4-e1 |
| InChI | InChI=1S/C34H60N2O25/c1-9-18(45)23(50)25(52)32(54-9)61-30-29(21(48)15(7-40)56-34(30)58-27(19(46)13(44)5-38)12(4-37)35-10(2)42)60-33-26(53)24(51)28(16(8-41)57-33)59-31-17(36-11(3)43)22(49)20(47)14(6-39)55-31/h9,12-34,37-41,44-53H,4-8H2,1-3H3,(H,35,42)(H,36,43)/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 | NXWYTGRXIXBADK-KCPSWOQASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152046) is a oligosaccharide (CHEBI:50699) |