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CHEBI:154895 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,4,6-trihydroxy-1-[(2R,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](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-5/a4-b1_a6-e1_b4-c1_c6-d1 |
| InChI | InChI=1S/C34H60N2O25/c1-9-18(43)23(48)26(51)32(56-9)54-7-13(42)29(19(44)12(4-37)35-10(2)40)60-31-17(36-11(3)41)22(47)30(15(6-39)58-31)61-34-28(53)25(50)21(46)16(59-34)8-55-33-27(52)24(49)20(45)14(5-38)57-33/h9,12-34,37-39,42-53H,4-8H2,1-3H3,(H,35,40)(H,36,41)/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 | LLGFGRCGKDCYJG-JXVHSFRBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-2,4,6-trihydroxy-1-[(2R,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:154895) is a oligosaccharide (CHEBI:50699) |