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CHEBI:150988 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C30H51N3O21 |
| Net Charge | 0 |
| Average Mass | 789.738 |
| Monoisotopic Mass | 789.30151 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O[C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@@H](CO)O[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-3/a3-b1_b3-c1_b6-d1 |
| InChI | InChI=1S/C30H51N3O21/c1-8(37)31-15-22(44)18(40)11(4-34)50-28(15)48-7-14-21(43)26(54-29-16(32-9(2)38)23(45)19(41)12(5-35)51-29)24(46)30(52-14)53-25-17(33-10(3)39)27(47)49-13(6-36)20(25)42/h11-30,34-36,40-47H,4-7H2,1-3H3,(H,31,37)(H,32,38)(H,33,39)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24-,25-,26+,27+,28-,29+,30+/m1/s1 |
| InChIKey | PKYXEJPEKJCFQE-KWYZGYGBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3S,4S,5R,6R)-6-[(2S,3R,4R,5R,6R)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:150988) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose | SUBMITTER |
| GlcNAc(b1-3)[GlcNAc(b1-6)]Gal(b1-3)a-GalNAc | SUBMITTER |