EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:151620 - [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-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](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3-4/a3-b1_a6-c1_c3-d1 |
| InChI | InChI=1S/C28H48N2O24S/c1-7(33)29-13-23(53-27-21(41)19(39)15(35)9(3-31)51-27)18(38)11(49-25(13)43)5-47-26-14(30-8(2)34)24(17(37)10(4-32)50-26)54-28-22(42)20(40)16(36)12(52-28)6-48-55(44,45)46/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 | GWKSSPDPPCAAJT-OSRZFNBPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5S,6R)-3-Acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-3,6-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:151620) is a oligosaccharide sulfate (CHEBI:37909) |
| Synonyms | Source |
|---|---|
| Gal6S(b1-3)GlcNAc(b1-6)[Gal(b1-3)]GalNAc | SUBMITTER |
| 6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |