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CHEBI:152905 - (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide
| Formula | C38H65N3O28 |
| Net Charge | 0 |
| Average Mass | 1011.931 |
| Monoisotopic Mass | 1011.37546 |
| SMILES | CNC(=O)[C@@]1(O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2NC(C)=O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 |
| WURCS | WURCS=2.0/4,5,4/[a2122h-1b_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_1*NC_5*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4-2/a4-b1_b3-c2_b4-d1_d3-e1 |
| InChI | InChI=1S/C38H65N3O28/c1-10(47)40-18-12(49)4-38(37(60)39-3,68-31(18)20(51)13(50)5-42)69-32-27(58)36(65-28-16(8-45)61-33(59)25(56)24(28)55)64-17(9-46)29(32)66-34-19(41-11(2)48)30(22(53)15(7-44)62-34)67-35-26(57)23(54)21(52)14(6-43)63-35/h12-36,42-46,49-59H,4-9H2,1-3H3,(H,39,60)(H,40,47)(H,41,48)/t12-,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32+,33+,34-,35-,36-,38-/m0/s1 |
| InChIKey | MQDDOLPAGZDDKZ-USOQFWORSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,4S,5R,6R)-5-Acetamido-2-[(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-N-methyl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxamide (CHEBI:152905) is a amino sugar (CHEBI:28963) |