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CHEBI:151548 - N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C36H63N3O25 |
| Net Charge | 0 |
| Average Mass | 937.896 |
| Monoisotopic Mass | 937.37506 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]([C@@H](O)[C@H](O)CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@H](CO)NC(C)=O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/5,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-5/a3-b1_a6-d1_b3-c1_d3-e1 |
| InChI | InChI=1S/C36H63N3O25/c1-10-21(48)27(54)28(55)35(58-10)63-31-20(39-13(4)46)33(59-17(7-42)24(31)51)57-9-15(47)22(49)30(14(5-40)37-11(2)44)62-36-29(56)32(25(52)18(8-43)61-36)64-34-19(38-12(3)45)26(53)23(50)16(6-41)60-34/h10,14-36,40-43,47-56H,5-9H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t10-,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 | HUUGGCWHNGZAPO-SKWBWQMCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151548) is a N-acyl-hexosamine (CHEBI:21656) |