PRD_900006
trehalose
PRD_900006 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).
The representative PDB ID is 4KZV.
Chemical Component Summary | |
|---|---|
| Name | trehalose |
| Identifiers | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxane-3,4,5-trio l |
| Formula | C12 H22 O11 |
| Molecular Weight | 342.296 |
| Type | SACCHARIDE |
| Isomeric SMILES | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)O |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9- ,10-,11-,12-/m1/s1 |
| InChIKey | HDTRYLNUVZCQOY-LIZSDCNHSA-N |
| Composition | Polymer Sequences: GLC-GLC |
| BIRD class | NUTRIENT |
| Represented As | BRANCHED |
| Compound Details | n/a |
| Description | n/a |
Chemical Details | |
|---|---|
| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 10 |
| Bond Count | 46 |
| Aromatic Bond Count | 0 |
Drug Info: DrugBank
| DrugBank ID | DB12310? |
|---|---|
| Name | Trehalose |
| Groups | investigational |
| Description | Cabaletta has been used in trials studying the treatment of Oculopharyngeal Muscular Dystrophy. |
| Synonyms |
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| Categories |
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| CAS number | 99-20-7 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 7427 |
| ChEMBL | CHEMBL1236395 |
| ChEBI | CHEBI:140775, CHEBI:16551 |
| CCDC/CSD | TREHAL12, TREHAL11, TRECAB, TREHAL14, TREHAL13, TREHAL01, DEKYEX, TREHAL10, TREHAL02, TREHAL03, DEKYEX01, TREHAL16 |
