EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C47H79N3O35 |
| Net Charge | 0 |
| Average Mass | 1246.135 |
| Monoisotopic Mass | 1245.44941 |
| SMILES | CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O |
| InChI | InChI=1S/C47H79N3O35/c1-11(56)48-21-30(66)36(18(7-54)75-41(21)72)81-43-23(50-13(3)58)31(67)37(19(8-55)79-43)82-47-40(85-44-34(70)24(60)14(59)9-73-44)38(83-45-35(71)32(68)26(62)16(5-52)77-45)28(64)20(80-47)10-74-46-39(33(69)27(63)17(6-53)78-46)84-42-22(49-12(2)57)29(65)25(61)15(4-51)76-42/h14-47,51-55,59-72H,4-10H2,1-3H3,(H,48,56)(H,49,57)(H,50,58)/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34-,35+,36-,37-,38+,39+,40+,41?,42+,43+,44+,45-,46+,47+/m1/s1 |
| InChIKey | BLBZATPNYGYUDX-ONPRHTGPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[α-D-Manp-(1→3)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:83551) is a amino heptasaccharide (CHEBI:70970) |
| β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[α-D-Manp-(1→3)]-[β-D-Xylp-(1→2)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:83551) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)-[α-D-mannopyranosyl-(1→3)]-[β-D-xylopyranosyl-(1→2)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| GnMX | ChEBI |
| N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)-[α-D-mannosyl-(1→3)]-[β-D-xylosyl-(1→2)]-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-β-D-glucosamine | ChEBI |
| β-D-GlcNAc-(1→2)-α-D-Man-(1→6)-[α-D-Man-(1→3)]-[β-D-Xyl-(1→2)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-β-D-GlcNAc | ChEBI |
| GlcNAcβ1-2Manα1-6(Manα1-3)(Xylβ1-2)Manβ1-4GlcNAcβ1-4GlcNAcβ | IUPAC |
| O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-mannopyranosyl-(1→6)-O-[α-D-mannopyranosyl-(1→3)]-O-[β-D-xylopyranosyl-(1→2)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranose | ChEBI |
| Citations |
|---|