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CHEBI:147585 - β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-D-GalNAc-OH
| Formula | C22H40N2O16 |
| Net Charge | 0 |
| Average Mass | 588.560 |
| Monoisotopic Mass | 588.23778 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](CO)NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-3/a3-b1_b3-c1 |
| InChI | InChI=1S/C22H40N2O16/c1-7(29)23-9(3-25)19(14(32)10(31)4-26)39-21-13(24-8(2)30)20(16(34)12(6-28)37-21)40-22-18(36)17(35)15(33)11(5-27)38-22/h9-22,25-28,31-36H,3-6H2,1-2H3,(H,23,29)(H,24,30)/t9-,10+,11+,12+,13+,14-,15-,16+,17-,18+,19+,20+,21-,22-/m0/s1 |
| InChIKey | HPPZWVQYOMRHNS-MRCIVFNLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-D-GalNAc-OH (CHEBI:147585) has functional parent N-acetyl-D-galactosaminitol (CHEBI:53480) |
| β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-D-GalNAc-OH (CHEBI:147585) has functional parent β-D-Galp-(1→3)-β-D-GlcpNAc (CHEBI:61246) |
| β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-D-GalNAc-OH (CHEBI:147585) is a acetamides (CHEBI:22160) |
| β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-D-GalNAc-OH (CHEBI:147585) is a glycosyl alditol derivative (CHEBI:63424) |
| IUPAC Name |
|---|
| β-D-galactopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactitol |
| Synonyms | Source |
|---|---|
| N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-acetamido-1,4,5,6-tetrahydroxyhexan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide | IUPAC |
| β-D-Galp-(1→3)-β-D-GlcpNAc-(1→3)-D-GalNAc-ol | ChEBI |