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CHEBI:148011 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
| Formula | C40H70N2O29 |
| Net Charge | 0 |
| Average Mass | 1042.985 |
| Monoisotopic Mass | 1042.40642 |
| 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]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/4,6,5/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-2-3/a3-b1_a6-d1_b2-c1_d3-e1_d4-f1 |
| InChI | InChI=1S/C40H70N2O29/c1-10-20(50)25(55)29(59)37(63-10)69-33-18(8-46)67-36(19(42-13(4)48)34(33)70-39-31(61)27(57)23(53)16(6-44)65-39)62-9-15(49)22(52)32(14(5-43)41-12(3)47)68-40-35(28(58)24(54)17(7-45)66-40)71-38-30(60)26(56)21(51)11(2)64-38/h10-11,14-40,43-46,49-61H,5-9H2,1-4H3,(H,41,47)(H,42,48)/t10-,11-,14-,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-/m0/s1 |
| InChIKey | ALFAGCZKULOZTO-QFQGYWEDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,3,6-trihydroxyhexoxy]-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:148011) is a oligosaccharide (CHEBI:50699) |