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CHEBI:146641 - N-[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C28H48N2O20 |
| Net Charge | 0 |
| Average Mass | 732.686 |
| Monoisotopic Mass | 732.28004 |
| SMILES | CC(=O)N[C@H]1[C@H](OC[C@H]2OC(O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a3-b1_a6-d1_b2-c1 |
| InChI | InChI=1S/C28H48N2O20/c1-7-15(35)20(40)22(42)27(45-7)50-24-21(41)17(37)11(5-32)48-28(24)49-23-14(30-9(3)34)25(43)46-12(18(23)38)6-44-26-13(29-8(2)33)19(39)16(36)10(4-31)47-26/h7,10-28,31-32,35-43H,4-6H2,1-3H3,(H,29,33)(H,30,34)/t7-,10+,11+,12+,13+,14+,15+,16-,17-,18-,19+,20+,21-,22-,23+,24+,25?,26+,27-,28-/m0/s1 |
| InChIKey | YQECEZJPDGJZQD-PBHQJZJFSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5R,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:146641) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| 6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |
| Fuc(a1-2)Gal(b1-3)[GalNAc(b1-6)]GalNAc | SUBMITTER |