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CHEBI:152786 - N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-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]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-4/a4-b1_b3-c1_c4-d1 |
| InChI | InChI=1S/C30H51N3O21/c1-8(38)31-15-21(44)24(13(6-36)48-27(15)47)53-30-23(46)26(19(42)12(5-35)50-30)54-29-17(33-10(3)40)22(45)25(14(7-37)51-29)52-28-16(32-9(2)39)20(43)18(41)11(4-34)49-28/h11-30,34-37,41-47H,4-7H2,1-3H3,(H,31,38)(H,32,39)(H,33,40)/t11-,12-,13-,14-,15-,16-,17-,18+,19+,20-,21-,22-,23-,24-,25-,26+,27?,28+,29+,30+/m1/s1 |
| InChIKey | ZXBUZLDOQHTKGT-AYOCAGIZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152786) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |
| GalNAc(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc | SUBMITTER |