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CHEBI:151057 - N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C26H45NO21 |
| Net Charge | 0 |
| Average Mass | 707.632 |
| Monoisotopic Mass | 707.24841 |
| 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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](CO)O[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2122h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5][a2112h-1a_1-5][a2112h-1b_1-5]/1-2-3-4/a3-b1_b6-c1_c3-d1 |
| InChI | InChI=1S/C26H45NO21/c1-6(31)27-11-21(14(34)8(3-29)43-23(11)41)47-26-19(39)17(37)13(33)10(46-26)5-42-24-20(40)22(15(35)9(4-30)44-24)48-25-18(38)16(36)12(32)7(2-28)45-25/h7-26,28-30,32-41H,2-5H2,1H3,(H,27,31)/t7-,8-,9-,10-,11-,12+,13-,14-,15+,16+,17+,18-,19-,20-,21-,22+,23-,24+,25+,26+/m1/s1 |
| InChIKey | VVZZBTVYNJIHNV-DYICITHDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-4-[(2R,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151057) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| Gal(b1-3)Gal(a1-6)Glc(b1-3)b-GlcNAc | SUBMITTER |
| beta-D-galacto-hexopyranosyl-(1->3)-alpha-D-galacto-hexopyranosyl-(1->6)-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose | SUBMITTER |