EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H53NO21 |
| Net Charge | 0 |
| Average Mass | 751.729 |
| Monoisotopic Mass | 751.31101 |
| SMILES | NCCCCCO[C@H]1O[C@H](CO)[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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O |
| InChI | InChI=1S/C29H53NO21/c30-4-2-1-3-5-44-26-20(41)23(15(36)11(7-32)45-26)50-28-22(43)25(17(38)13(9-34)47-28)51-29-21(42)24(16(37)12(8-33)48-29)49-27-19(40)18(39)14(35)10(6-31)46-27/h10-29,31-43H,1-9,30H2/t10-,11-,12-,13-,14-,15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29-/m1/s1 |
| InChIKey | FHWCTSWMZFKMRM-ZDMJJQSESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Manp-(1→3)-α-D-Manp-(1→3)-α-D-Manp-(1→3)-α-D-ManpO[CH2]5NH2 (CHEBI:747110) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| 5-aminopentyl α-D-mannopyranosyl-(1→3)-α-D-mannopyranosyl-(1→3)-α-D-mannopyranosyl-(1→3)-α-D-mannopyranoside |
| Citations |
|---|