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CHEBI:146618 - [(2R,3S,4R,5S)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
| Formula | C28H50N2O30S3 |
| Net Charge | 0 |
| Average Mass | 990.893 |
| Monoisotopic Mass | 990.16105 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)COS(=O)(=O)O)[C@@H]2O)O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[h2122h_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O][a2112h-1b_1-5]/1-2-3-4/a4-b1_b3-c1_c4-d1 |
| InChI | InChI=1S/C28H50N2O30S3/c1-8(33)29-10(3-31)16(36)23(11(35)5-52-61(43,44)45)58-28-22(42)25(18(38)13(56-28)6-53-62(46,47)48)60-26-15(30-9(2)34)19(39)24(14(57-26)7-54-63(49,50)51)59-27-21(41)20(40)17(37)12(4-32)55-27/h10-28,31-32,35-42H,3-7H2,1-2H3,(H,29,33)(H,30,34)(H,43,44,45)(H,46,47,48)(H,49,50,51)/t10-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28-/m0/s1 |
| InChIKey | FDDZXJRGJXCMBG-ITKYWCSTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4R,5S)-5-Acetamido-3-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(sulfooxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate (CHEBI:146618) is a oligosaccharide sulfate (CHEBI:37909) |