EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:148695 - 4,6-dideoxy-α-L-xylo-hexopyranosyl-(1→2)-β-D-Galp-(1→4)-D-GlcpNAc
| Formula | C20H35NO14 |
| Net Charge | 0 |
| Average Mass | 513.493 |
| Monoisotopic Mass | 513.20575 |
| SMILES | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)C[C@@H](O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a12d1m-1a_1-5]/1-2-3/a4-b1_b2-c1 |
| InChI | InChI=1S/C20H35NO14/c1-6-3-8(25)12(26)19(31-6)35-17-15(29)13(27)9(4-22)33-20(17)34-16-10(5-23)32-18(30)11(14(16)28)21-7(2)24/h6,8-20,22-23,25-30H,3-5H2,1-2H3,(H,21,24)/t6-,8+,9+,10+,11+,12-,13-,14+,15-,16+,17+,18?,19-,20-/m0/s1 |
| InChIKey | AFRLSBKHHLZMDX-VBFIPOFZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,6-dideoxy-α-L-xylo-hexopyranosyl-(1→2)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:148695) has functional parent β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:60152) |
| 4,6-dideoxy-α-L-xylo-hexopyranosyl-(1→2)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:148695) is a acetamides (CHEBI:22160) |
| 4,6-dideoxy-α-L-xylo-hexopyranosyl-(1→2)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:148695) is a amino trisaccharide (CHEBI:59266) |
| IUPAC Names |
|---|
| 4,6-deoxy-L-xylHex(a1-2)Gal(b1-4)GlcNAc |
| 4,6-dideoxy-α-L-xylo-hexopyranosyl-(1→2)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 4,6-dideoxy-α-L-xylo-hexopyranosyl-(1→2)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | IUPAC |
| N-[(3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3S,4R,6S)-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |