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CHEBI:147484 - [(2R,3S,4R,5R)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(1S,3R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl]oxy]oxan-2-yl]oxy-6-hydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
| Formula | C29H48N2O24S |
| Net Charge | 0 |
| Average Mass | 840.760 |
| Monoisotopic Mass | 840.23177 |
| SMILES | CC(=O)N[C@H]1C(O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]34C[C@H](O)C(NC3=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H]2O)[C@@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1x_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_1-5*N*_2-6]/1-2-3-4/a3-b1_a4-c1_c3-d2 |
| InChI | InChI=1S/C29H48N2O24S/c1-7-15(37)18(40)19(41)26(49-7)53-23-14(30-8(2)34)25(43)50-12(6-48-56(45,46)47)21(23)52-27-20(42)24(17(39)11(5-33)51-27)55-29-3-9(35)13(31-28(29)44)22(54-29)16(38)10(36)4-32/h7,9-27,32-33,35-43H,3-6H2,1-2H3,(H,30,34)(H,31,44)(H,45,46,47)/t7-,9-,10+,11+,12+,13?,14+,15+,16+,17-,18+,19-,20+,21+,22+,23+,24-,25?,26-,27-,29-/m0/s1 |
| InChIKey | YVEVVZRFDGZPNX-BFQIRTIMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4R,5R)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(1S,3R,8S)-8-hydroxy-6-oxo-3-[(1R,2R)-1,2,3-trihydroxypropyl]-2-oxa-5-azabicyclo[2.2.2]octan-1-yl]oxy]oxan-2-yl]oxy-6-hydroxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:147484) is a oligosaccharide sulfate (CHEBI:37909) |