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CHEBI:148242 - [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate
| Formula | C34H60N2O28S |
| Net Charge | 0 |
| Average Mass | 976.907 |
| Monoisotopic Mass | 976.30533 |
| 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](O)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](CO)NC(C)=O)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][a1221m-1a_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-4-5/a3-b1_a6-e1_b2-c1_b3-d1 |
| InChI | InChI=1S/C34H60N2O28S/c1-9-18(44)24(50)25(51)32(57-9)63-30-29(62-33-26(52)28(64-65(53,54)55)21(47)15(6-39)59-33)22(48)16(7-40)60-34(30)61-27(12(4-37)35-10(2)41)19(45)13(43)8-56-31-17(36-11(3)42)23(49)20(46)14(5-38)58-31/h9,12-34,37-40,43-52H,4-8H2,1-3H3,(H,35,41)(H,36,42)(H,53,54,55)/t9-,12-,13+,14+,15+,16+,17+,18+,19-,20+,21-,22-,23+,24+,25-,26+,27+,28-,29-,30+,31+,32-,33-,34-/m0/s1 |
| InChIKey | VZEPTOOFWGYEID-WIZHLILGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] hydrogen sulfate (CHEBI:148242) is a oligosaccharide (CHEBI:50699) |