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CHEBI:154391 - (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
| Formula | C28H44N2O23 |
| Net Charge | 0 |
| Average Mass | 776.651 |
| Monoisotopic Mass | 776.23349 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)O[C@H](C(=O)O)[C@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2122A-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b3-c1_c4-d1 |
| InChI | InChI=1S/C28H44N2O23/c1-5(33)29-9-11(35)18(7(3-31)47-25(9)46)50-28-17(41)20(16(40)22(53-28)24(44)45)51-26-10(30-6(2)34)12(36)19(8(4-32)48-26)49-27-15(39)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16+,17-,18-,19-,20+,21+,22+,25?,26+,27-,28-/m1/s1 |
| InChIKey | NOTROIXZVPJLET-ZTDWWGRQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6S)-5-Acetamido-6-[(2R,3R,4S,5S,6S)-2-[(2R,3S,4R,5R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-carboxy-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:154391) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-gluco-hexopyranosyluronic acid-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |
| GlcA(b1-4)GlcNAc(b1-3)GlcA(b1-4)GlcNAc | SUBMITTER |