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CHEBI:150376 - [(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-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]2[C@@H](O)[C@@H](COS(=O)(=O)O)O[C@@H](O[C@H]3[C@@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)O[C@H](CO)[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/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4/a3-b1_b3-c1_c4-d1 |
| InChI | InChI=1S/C28H48N2O24S/c1-7(34)29-13-18(39)22(52-27-20(41)19(40)15(36)9(3-31)49-27)11(5-33)50-26(13)54-24-17(38)12(6-47-55(44,45)46)51-28(21(24)42)53-23-14(30-8(2)35)25(43)48-10(4-32)16(23)37/h9-28,31-33,36-43H,3-6H2,1-2H3,(H,29,34)(H,30,35)(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 | PWBAXSUUHAJTGF-NSUYGGBGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4S,5R,6R)-6-[(3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hydrogen sulfate (CHEBI:150376) is a oligosaccharide sulfate (CHEBI:37909) |
| Synonyms | Source |
|---|---|
| Gal(b1-4)GlcNAc(b1-3)Gal6S(b1-3)GalNAc | SUBMITTER |
| beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-6-O-sulfo-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |