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CHEBI:152623 - [(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-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate
| Formula | C28H50N2O33S4 |
| Net Charge | 0 |
| Average Mass | 1070.957 |
| Monoisotopic Mass | 1070.11787 |
| 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](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[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]/1-2-3-2/a4-b1_b3-c1_c4-d1 |
| InChI | InChI=1S/C28H50N2O33S4/c1-8(32)29-10(3-31)16(35)23(11(34)4-54-64(42,43)44)61-28-22(41)25(18(37)13(59-28)6-56-66(48,49)50)63-26-15(30-9(2)33)19(38)24(14(60-26)7-57-67(51,52)53)62-27-21(40)20(39)17(36)12(58-27)5-55-65(45,46)47/h10-28,31,34-41H,3-7H2,1-2H3,(H,29,32)(H,30,33)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)/t10-,11+,12+,13+,14+,15+,16+,17-,18-,19+,20-,21+,22+,23+,24+,25-,26-,27-,28-/m0/s1 |
| InChIKey | RTHHRGZJXWCOLF-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-(sulfooxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-(sulfooxymethyl)oxan-2-yl]oxy-2,4,6-trihydroxyhexyl] hydrogen sulfate (CHEBI:152623) is a oligosaccharide sulfate (CHEBI:37909) |