EMBL-EBI | Chemical Biology | ChEBI
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| 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]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2122h-1b_1-5][a2112h-1b_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-2-3-2/a4-b1_b4-c1_c4-d1 |
| InChI | InChI=1S/C26H45NO21/c1-6(32)27-11-13(34)20(47-25-18(39)14(35)12(33)7(2-28)43-25)9(4-30)44-24(11)46-22-10(5-31)45-26(19(40)16(22)37)48-21-8(3-29)42-23(41)17(38)15(21)36/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13-,14+,15-,16-,17-,18-,19-,20+,21-,22+,23-,24+,25+,26+/m1/s1 |
| InChIKey | FICKNQHFTDGQJJ-KGTJKHECSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→4)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:146809) has functional parent β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:145641) |
| β-D-Galp-(1→4)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:146809) is a acetamides (CHEBI:22160) |
| β-D-Galp-(1→4)-β-D-GalpNAc-(1→4)-β-D-Galp-(1→4)-β-D-Glcp (CHEBI:146809) is a amino tetrasaccharide (CHEBI:59412) |
| IUPAC Names |
|---|
| Gal(b1-4)GalNAc(b1-4)Gal(b1-4)b-Glc |
| β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-galacto-hexopyranosyl-(1→4)-β-D-galacto-hexopyranosyl-(1→4)-β-D-gluco-hexopyranose | IUPAC |
| N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide | IUPAC |
| Citations |
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