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CHEBI:146083 - β-D-GalpNAc4S-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp
| 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](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)O[C@@H]2CO)O[C@H](CO)[C@H](OS(=O)(=O)O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5_2*NCC/3=O_4*OSO/3=O/3=O]/1-2-3/a2-b1_b4-c1 |
| InChI | InChI=1S/C22H38N2O19S/c1-6(28)23-11-14(31)17(9(4-26)39-22(11)42-19-16(33)13(30)8(3-25)38-20(19)34)41-21-12(24-7(2)29)15(32)18(10(5-27)40-21)43-44(35,36)37/h8-22,25-27,30-34H,3-5H2,1-2H3,(H,23,28)(H,24,29)(H,35,36,37)/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21+,22+/m1/s1 |
| InChIKey | ZECUIZJBHZXZGM-RBYKOOQDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GalpNAc4S-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:146083) is a acetamides (CHEBI:22160) |
| β-D-GalpNAc4S-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:146083) is a amino trisaccharide (CHEBI:59266) |
| β-D-GalpNAc4S-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp (CHEBI:146083) is a oligosaccharide sulfate (CHEBI:37909) |
| IUPAC Names |
|---|
| GalNAc4S(b1-4)GlcNAc(b1-2)a-Man |
| 2-acetamido-2-deoxy-4-O-sulfo-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranose |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-4-O-sulfo-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→2)-α-D-manno-hexopyranose | IUPAC |
| [(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-[(2S,3S,4S,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate | IUPAC |