EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H35NO17 |
| Net Charge | 0 |
| Average Mass | 561.490 |
| Monoisotopic Mass | 561.19050 |
| SMILES | NCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](C(=O)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](O)[C@H]1O |
| InChI | InChI=1S/C20H35NO17/c21-1-2-33-18-11(28)9(26)14(6(4-23)35-18)36-20-13(30)15(12(29)16(38-20)17(31)32)37-19-10(27)8(25)7(24)5(3-22)34-19/h5-16,18-20,22-30H,1-4,21H2,(H,31,32)/t5-,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16+,18-,19+,20-/m1/s1 |
| InChIKey | DERLBTRJVKJJBP-GQGWLASBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2NH2 (CHEBI:134029) is a trisaccharide derivative (CHEBI:63571) |
| β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpOCH2CH2NH2 (CHEBI:134029) is a β-D-glucoside (CHEBI:22798) |
| IUPAC Name |
|---|
| 2-aminoethyl β-D-glucopyranosyl-(1→3)-β-D-glucopyranuronosyl-(1→4)-β-D-glucopyranoside |
| Synonyms | Source |
|---|---|
| β-D-Glc-(1→3)-β-D-GlcA-(1→4)-β-D-GlcOCH2CH2NH2 | ChEBI |
| Glcβ1-3GlcβA1-4GlcβOCH2CH2NH2 | ChEBI |
| 2-aminoethyl β-D-glucosyl-(1→3)-β-D-glucuronosyl-(1→4)-β-D-glucoside | ChEBI |
| β-D-Glcp-(1→3)-β-D-GlcpA-(1→4)-β-D-GlcpO[CH2]2NH2 | IUPAC |
| β-D-Glc-(1→3)-β-D-GlcA-(1→4)-β-D-GlcO[CH2]2NH2 | ChEBI |
| Citations |
|---|