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CHEBI:148250 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-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]2O[C@@H](OC[C@H]3O[C@@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]3O)[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)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,5,4/[h2122h_2*NCC/3=O][a1122h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2-3-3/a4-b1_b6-c1_c2-d1_c6-e1 |
| InChI | InChI=1S/C36H63N3O26/c1-10(44)37-13(4-40)21(48)31(14(47)5-41)64-35-30(57)28(55)24(51)17(62-35)9-59-36-32(65-34-20(39-12(3)46)27(54)23(50)16(7-43)61-34)29(56)25(52)18(63-36)8-58-33-19(38-11(2)45)26(53)22(49)15(6-42)60-33/h13-36,40-43,47-57H,4-9H2,1-3H3,(H,37,44)(H,38,45)(H,39,46)/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 | MFWZNZNDXTXDKI-KVQHYXSGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3S,4S,5S,6S)-6-[(2R,3S,4R,5S)-5-acetamido-1,2,4,6-tetrahydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:148250) is a oligosaccharide (CHEBI:50699) |