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CHEBI:150613 - N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C36H63N3O26 |
| Net Charge | 0 |
| Average Mass | 953.895 |
| Monoisotopic Mass | 953.36998 |
| 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](CO)NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2-3-2-4/a3-b1_a6-c1_c4-d1_d4-e1 |
| InChI | InChI=1S/C36H63N3O26/c1-10(45)37-13(4-40)30(63-35-28(56)26(54)23(51)16(6-42)60-35)21(49)14(48)9-58-33-20(39-12(3)47)25(53)31(17(7-43)61-33)65-36-29(57)27(55)32(18(8-44)62-36)64-34-19(38-11(2)46)24(52)22(50)15(5-41)59-34/h13-36,40-44,48-57H,4-9H2,1-3H3,(H,37,45)(H,38,46)(H,39,47)/t13-,14+,15+,16+,17+,18+,19+,20+,21-,22+,23-,24+,25+,26-,27+,28+,29+,30+,31+,32-,33+,34+,35-,36-/m0/s1 |
| InChIKey | PNTSWRJPKWYAFH-HLTYVYJJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(2R,3S,4R,5S)-5-acetamido-2,3,6-trihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150613) is a oligosaccharide (CHEBI:50699) |