3MF
3-O-METHYLFRUCTOSE IN LINEAR FORM
| Created: | 1999-07-08 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 27 |
| Chiral Atom Count | 3 |
| Bond Count | 26 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| Name | 3-O-METHYLFRUCTOSE IN LINEAR FORM |
| Systematic Name (OpenEye OEToolkits) | (3S,4R,5R)-1,4,5,6-tetrahydroxy-3-methoxy-hexan-2-one |
| Formula | C7 H14 O6 |
| Molecular Weight | 194.182 |
| Type | SACCHARIDE |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(C(OC)C(O)C(O)CO)CO |
| SMILES | CACTVS | 3.341 | CO[CH]([CH](O)[CH](O)CO)C(=O)CO |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(C(C(CO)O)O)C(=O)CO |
| Canonical SMILES | CACTVS | 3.341 | CO[C@@H]([C@H](O)[C@H](O)CO)C(=O)CO |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CO[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO |
| InChI | InChI | 1.03 | InChI=1S/C7H14O6/c1-13-7(5(11)3-9)6(12)4(10)2-8/h4,6-10,12H,2-3H2,1H3/t4-,6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | OFSVCCCZZQKHKQ-QPPQHZFASA-N |
Drug Info: DrugBank
| DrugBank ID | DB02438 |
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| Name | 3-O-Methylfructose in Linear Form |
| Groups | experimental |
| Synonyms | 3-O-Methylfructose in Linear Form |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Xylose isomerase | MSYQPTPEDRFTFGLWTVGWQGRDPFGDATRPALDPVETVQRLAELGAHG... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 449225 |
