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CHEBI:149231 - N-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-3-Acetamido-5-[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C32H54N4O21 |
| Net Charge | 0 |
| Average Mass | 830.791 |
| Monoisotopic Mass | 830.32805 |
| SMILES | CC(=O)N[C@H]1C(O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O[C@H]4[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/1,4,3/[a2122h-1x_1-5_2*NCC/3=O]/1-1-1-1/a4-b1_b4-c1_c4-d1 |
| InChI | InChI=1S/C32H54N4O21/c1-9(41)33-17-23(47)26(14(6-38)51-29(17)50)55-31-19(35-11(3)43)25(49)28(16(8-40)53-31)57-32-20(36-12(4)44)24(48)27(15(7-39)54-32)56-30-18(34-10(2)42)22(46)21(45)13(5-37)52-30/h13-32,37-40,45-50H,5-8H2,1-4H3,(H,33,41)(H,34,42)(H,35,43)(H,36,44)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29?,30?,31?,32?/m1/s1 |
| InChIKey | PFZKWTWCVGDJQC-BRKSNAHYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-3-Acetamido-5-[(3R,4R,5S,6R)-3-acetamido-5-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:149231) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| GlcNAc(?1-4)GlcNAc(?1-4)GlcNAc(?1-4)GlcNAc | SUBMITTER |
| 2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |