EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C33H59NO25 |
| Net Charge | 0 |
| Average Mass | 869.817 |
| Monoisotopic Mass | 869.33762 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCCN)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[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]3O)[C@@H]2O)[C@H]1O |
| InChI | InChI=1S/C33H59NO25/c1-9-14(39)25(23(48)31(51-9)57-26-17(42)12(7-37)52-29(22(26)47)50-4-2-3-34)56-32-24(49)27(18(43)13(8-38)54-32)58-33-28(20(45)16(41)11(6-36)55-33)59-30-21(46)19(44)15(40)10(5-35)53-30/h9-33,35-49H,2-8,34H2,1H3/t9-,10+,11+,12+,13+,14-,15+,16+,17+,18+,19-,20-,21-,22+,23+,24-,25+,26-,27-,28-,29+,30+,31-,32-,33-/m0/s1 |
| InChIKey | HOKPUYGYTDOTBK-ZCRMEAINSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Manp-(1→2)-β-D-Manp-(1→3)-β-D-Manp-(1→3)-α-L-Rhap-(1→3)-β-D-GlcpO[CH2]3NH2 (CHEBI:76865) has part α-D-Manp-(1→2)-β-D-Manp-(1→3)-β-D-Manp-(1→3)-α-L-Rhap-(1→3)-β-D-Glcp-yl group (CHEBI:76899) |
| α-D-Manp-(1→2)-β-D-Manp-(1→3)-β-D-Manp-(1→3)-α-L-Rhap-(1→3)-β-D-GlcpO[CH2]3NH2 (CHEBI:76865) is a pentasaccharide derivative (CHEBI:63566) |
| IUPAC Name |
|---|
| 3-aminopropyl α-D-mannopyranosyl-(1→2)-β-D-mannopyranosyl-(1→3)-β-D-mannopyranosyl-(1→3)-6-deoxy-α-L-mannopyranosyl-(1→3)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| 3-aminopropyl O-(α-D-mannopyranosyl)-(1→2)-O-(β-D-mannopyranosyl)-(1→3)-O-(β-D-mannopyranosyl)-(1→3)-O-(α-L-rhamnopyranosyl)-(1→3)-β-D-glucopyranoside | ChEBI |
| 3-aminopropyl α-D-mannosyl-(1→2)-β-D-mannosyl-(1→3)-β-D-mannosyl-(1→3)-α-L-rhamosyl-(1→3)-β-D-glucoside | ChEBI |
| α-D-Man-(1→2)-β-D-Man-(1→3)-β-D-Man-(1→3)-α-L-Rha-(1→3)-β-D-GlcO[CH2]3NH2 | ChEBI |
| Citations |
|---|