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CHEBI:156689 - [(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
| Formula | C28H48N2O24S |
| Net Charge | 0 |
| Average Mass | 828.749 |
| Monoisotopic Mass | 828.23177 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](CO[C@@H]2O[C@H](COS(=O)(=O)O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)O[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O_6*OSO/3=O/3=O]/1-2-3-2/a3-b1_a6-c1_c4-d1 |
| InChI | InChI=1S/C28H48N2O24S/c1-7(33)29-13-18(38)23(53-27-21(41)19(39)15(35)9(3-31)50-27)12(6-48-55(44,45)46)52-26(13)47-5-11-17(37)24(14(25(43)49-11)30-8(2)34)54-28-22(42)20(40)16(36)10(4-32)51-28/h9-28,31-32,35-43H,3-6H2,1-2H3,(H,29,33)(H,30,34)(H,44,45,46)/t9-,10-,11-,12-,13-,14-,15+,16+,17+,18-,19+,20+,21-,22-,23-,24-,25+,26-,27+,28+/m1/s1 |
| InChIKey | GDWKIQKSCKQCDQ-HOUZANAJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4R,5R,6R)-5-Acetamido-6-[[(2R,3R,4R,5R,6S)-5-acetamido-3,6-dihydroxy-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4-hydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:156689) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-6-O-sulfo-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose | SUBMITTER |
| Gal(b1-4)GlcNAc6S(b1-6)[Gal(b1-3)]a-GalNAc | SUBMITTER |