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CHEBI:76399 - N-nonyldeoxynojirimycin
| Formula | C15H31NO4 |
| Net Charge | 0 |
| Average Mass | 289.416 |
| Monoisotopic Mass | 289.22531 |
| SMILES | CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO |
| InChI | InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1 |
| InChIKey | FTSCEGKYKXESFF-LXTVHRRPSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | EC 3.2.1.45 (glucosylceramidase) inhibitor An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of glucosylceramidase (EC 3.2.1.45). antiviral agent A substance that destroys or inhibits replication of viruses. EC 3.2.1.20 (alpha-glucosidase) inhibitor An EC 3.2.1.* (glycosidase) inhibitor that interferes with the action of α-glucosidase (EC 3.2.1.20). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-nonyldeoxynojirimycin (CHEBI:76399) has functional parent duvoglustat (CHEBI:44369) |
| N-nonyldeoxynojirimycin (CHEBI:76399) has role antiviral agent (CHEBI:22587) |
| N-nonyldeoxynojirimycin (CHEBI:76399) has role EC 3.2.1.20 (α-glucosidase) inhibitor (CHEBI:67239) |
| N-nonyldeoxynojirimycin (CHEBI:76399) has role EC 3.2.1.45 (glucosylceramidase) inhibitor (CHEBI:67230) |
| N-nonyldeoxynojirimycin (CHEBI:76399) is a hydroxypiperidine (CHEBI:48590) |
| N-nonyldeoxynojirimycin (CHEBI:76399) is a tertiary amino compound (CHEBI:50996) |
| IUPAC Name |
|---|
| (2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol |
| Synonym | Source |
|---|---|
| NN-DNJ | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| WO0062780 | Patent |
| EP1171129 | Patent |
| US2002115667 | Patent |
| US2002142985 | Patent |
| US6683076 | Patent |
| US2005075305 | Patent |
| US7348000 | Patent |
| WO0062779 | Patent |
| EP1171128 | Patent |
| NND | PDBeChem |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6859812 | Reaxys |
| CAS:81117-35-3 | ChEBI |
| Citations |
|---|