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CHEBI:147772 - [(2R,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate
| Formula | C26H45NO27S2 |
| Net Charge | 0 |
| Average Mass | 867.760 |
| Monoisotopic Mass | 867.16204 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](OS(=O)(=O)O)[C@@H](O)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1x_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4/a4-b1_b4-c1_c3-d1 |
| InChI | InChI=1S/C26H45NO27S2/c1-6(32)27-11-20(52-25-16(37)21(53-55(40,41)42)13(34)8(3-29)48-25)12(33)7(2-28)47-24(11)51-19-10(5-31)49-26(17(38)22(19)54-56(43,44)45)50-18-9(4-30)46-23(39)15(36)14(18)35/h7-26,28-31,33-39H,2-5H2,1H3,(H,27,32)(H,40,41,42)(H,43,44,45)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,19+,20-,21+,22-,23-,24+,25+,26?/m1/s1 |
| InChIKey | QQBJQVWNXPDNQN-KIEOIEQOSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4R,5R)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-sulfooxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl] hydrogen sulfate (CHEBI:147772) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| Gal3S(b1-3)GalNAc(b1-4)Gal3S(?1-4)b-Glc | SUBMITTER |
| 3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose | SUBMITTER |