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CHEBI:147522 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,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-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
| Formula | C42H73N3O31 |
| Net Charge | 0 |
| Average Mass | 1116.036 |
| Monoisotopic Mass | 1115.42280 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@@H](O)[C@H](O)[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](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]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2-3-2/a3-b1_a6-e1_b3-c1_c3-d1_e4-f1 |
| InChI | InChI=1S/C42H73N3O31/c1-11(52)43-14(4-46)34(23(56)15(55)10-67-38-21(44-12(2)53)28(61)35(20(9-51)72-38)74-40-31(64)29(62)24(57)16(5-47)69-40)73-42-33(66)37(27(60)19(8-50)71-42)76-39-22(45-13(3)54)36(26(59)18(7-49)68-39)75-41-32(65)30(63)25(58)17(6-48)70-41/h14-42,46-51,55-66H,4-10H2,1-3H3,(H,43,52)(H,44,53)(H,45,54)/t14-,15+,16+,17+,18+,19+,20+,21+,22+,23-,24-,25-,26+,27-,28+,29-,30-,31+,32+,33+,34+,35+,36+,37-,38+,39-,40-,41-,42-/m0/s1 |
| InChIKey | CSSCUIOGVPDXGD-CYCWZKQISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,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-2,3,6-trihydroxyhexoxy]-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:147522) is a oligosaccharide (CHEBI:50699) |