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CHEBI:152474 - [(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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 | C26H45NO24S |
| Net Charge | 0 |
| Average Mass | 787.696 |
| Monoisotopic Mass | 787.20522 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](OS(=O)(=O)O)[C@@H](O)[C@H](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](O)[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1b_1-5][a2112h-1b_1-5_3*OSO/3=O/3=O][a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3-4/a4-b1_b4-c1_c3-d1 |
| InChI | InChI=1S/C26H45NO24S/c1-6(32)27-11-21(50-25-17(38)14(35)12(33)7(2-28)46-25)13(34)8(3-29)45-24(11)49-20-10(5-31)47-26(18(39)22(20)51-52(41,42)43)48-19-9(4-30)44-23(40)16(37)15(19)36/h7-26,28-31,33-40H,2-5H2,1H3,(H,27,32)(H,41,42,43)/t7-,8-,9-,10-,11-,12+,13+,14+,15-,16-,17-,18-,19-,20+,21-,22-,23-,24+,25+,26+/m1/s1 |
| InChIKey | KKZGNGYYOSSEBU-DXJJOPMRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| [(2R,3S,4R,5R,6S)-3-[(2S,3R,4R,5R,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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:152474) is a oligosaccharide (CHEBI:50699) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranose | SUBMITTER |
| Gal(b1-3)GalNAc(b1-4)Gal3S(b1-4)b-Glc | SUBMITTER |