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CHEBI:147264 - β-D-Galp6S-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc
| Formula | C22H38N2O19S |
| Net Charge | 0 |
| Average Mass | 666.608 |
| Monoisotopic Mass | 666.17895 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2112h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_6*OSO/3=O/3=O]/1-2-3/a3-b1_b4-c1 |
| InChI | InChI=1S/C22H38N2O19S/c1-6(27)23-11-15(31)18(42-22-17(33)16(32)13(29)10(41-22)5-38-44(35,36)37)9(4-26)40-21(11)43-19-12(24-7(2)28)20(34)39-8(3-25)14(19)30/h8-22,25-26,29-34H,3-5H2,1-2H3,(H,23,27)(H,24,28)(H,35,36,37)/t8-,9-,10-,11-,12-,13+,14+,15-,16+,17-,18-,19-,20?,21+,22+/m1/s1 |
| InChIKey | ANPOYQAUPIMHLP-NLWDVNAJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Galp6S-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:147264) is a amino trisaccharide (CHEBI:59266) |
| β-D-Galp6S-(1→4)-β-D-GlcpNAc-(1→3)-D-GalpNAc (CHEBI:147264) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Name |
|---|
| 6-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galactopyranose |
| Synonyms | Source |
|---|---|
| 6-O-sulfo-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→3)-2-acetamido-2-deoxy-D-galacto-hexopyranose | IUPAC |
| Gal6S(b1-4)GlcNAc(b1-3)GalNAc | IUPAC |
| [(2R,3R,4S,5R,6S)-6-[(2R,3S,4R,5R,6R)-5-Acetamido-6-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl hydrogen sulfate | IUPAC |