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CHEBI:151843 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-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](OC[C@@H](O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[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 |
| WURCS | WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-3-3-4/a3-b1_a6-d1_b6-c1_d4-e1 |
| InChI | InChI=1S/C36H63N3O25/c1-10-21(47)27(53)29(55)35(59-10)64-32-17(7-42)61-34(20(26(32)52)39-13(4)45)57-8-15(46)22(48)31(14(5-40)37-11(2)43)63-36-30(56)28(54)24(50)18(62-36)9-58-33-19(38-12(3)44)25(51)23(49)16(6-41)60-33/h10,14-36,40-42,46-56H,5-9H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)/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 | KCCKRNNCMPMAPX-IQCKPJDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4S,5R,6R)-6-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151843) is a N-acyl-hexosamine (CHEBI:21656) |