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CHEBI:3528 - cellotriose
| Formula | C18H32O16 |
| Net Charge | 0 |
| Average Mass | 504.438 |
| Monoisotopic Mass | 504.16903 |
| SMILES | OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2/a4-b1_b4-c1 |
| InChI | InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1 |
| InChIKey | FYGDTMLNYKFZSV-ZWSAEMDYSA-N |
| Roles Classification |
|---|
| Biological Role: | bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cellotriose (CHEBI:3528) has role bacterial xenobiotic metabolite (CHEBI:76976) |
| cellotriose (CHEBI:3528) is a glucotriose (CHEBI:146180) |
| Incoming Relation(s) |
| α-cellotriose (CHEBI:41727) is a cellotriose (CHEBI:3528) |
| β-cellotriose (CHEBI:41753) is a cellotriose (CHEBI:3528) |
| IUPAC Names |
|---|
| β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-D-glucopyranose |
| β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→4)-D-glucose |
| Synonyms | Source |
|---|---|
| Cellotriose | KEGG COMPOUND |
| β-D-Glcp-(1→4)-β-D-Glcp-(1→4)-D-Glc | IUPAC |
| UniProt Name | Source |
|---|---|
| D-cellotriose | UniProt |