EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C35H63NO24 |
| Net Charge | 0 |
| Average Mass | 881.872 |
| Monoisotopic Mass | 881.37400 |
| SMILES | C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H](O[C@H]4[C@@H](OCCCCCN)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]3CO)O[C@H](CO)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C35H63NO24/c1-11-16(40)20(44)23(47)31(52-11)58-28-19(43)14(9-38)54-33(25(28)49)57-27-15(10-39)56-34(26(50)29(27)59-32-24(48)21(45)17(41)12(2)53-32)60-30-22(46)18(42)13(8-37)55-35(30)51-7-5-3-4-6-36/h11-35,37-50H,3-10,36H2,1-2H3/t11-,12-,13+,14+,15+,16-,17-,18+,19+,20+,21+,22-,23+,24+,25+,26+,27+,28-,29+,30+,31-,32-,33-,34+,35-/m0/s1 |
| InChIKey | VMKYJNNYYJNBRB-YYUHOULWSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-L-Rhap-(1→3)-[α-L-Rhap-(1→3)-β-D-Glcp-(1→4)]-α-D-Glcp-(1→2)-α-D-GlcpO[CH2]5NH2 (CHEBI:74973) is a glycoside (CHEBI:24400) |
| α-L-Rhap-(1→3)-[α-L-Rhap-(1→3)-β-D-Glcp-(1→4)]-α-D-Glcp-(1→2)-α-D-GlcpO[CH2]5NH2 (CHEBI:74973) is a pentasaccharide derivative (CHEBI:63566) |
| IUPAC Name |
|---|
| 5-aminopentyl 6-deoxy-α-L-mannopyranosyl-(1→3)-[6-deoxy-α-L-mannopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)]-α-D-glucopyranosyl-(1→2)-α-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| α-L-Rhap-(1→3)-β-D-Glcp-(1→4)-[α-L-Rhap-(1→3)]-α-D-Glcp-(1→2)-α-D-GlcpO[CH2]5NH2 | ChEBI |
| α-L-Rha-(1→3)-β-D-Glc-(1→4)-[α-L-Rha-(1→3)]-α-D-Glc-(1→2)-α-D-GlcO[CH2]5NH2 | ChEBI |
| α-L-Rha-(1→3)-[α-L-Rha-(1→3)-β-D-Glc-(1→4)]-α-D-Glc-(1→2)-α-D-GlcO[CH2]5NH2 | ChEBI |
| 5-aminopentyl α-L-rhamnosyl-(1→3)-[α-L-rhamnosyl-(1→3)-β-D-glucosyl-(1→4)]-α-D-glucosyl-(1→2)-α-D-glucoside | ChEBI |
| 5-aminopentyl α-L-rhamnosyl-(1→3)-β-D-glucosyl-(1→4)-[α-L-rhamnosyl-(1→3)]-α-D-glucosyl-(1→2)-α-D-glucoside | ChEBI |
| PS-I | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| EP2554549 | Patent |
| WO2013017254 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:21849463 | Reaxys |
| Citations |
|---|