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CHEBI:79352 - progoitrin
| Formula | C11H19NO10S2 |
| Net Charge | 0 |
| Average Mass | 389.404 |
| Monoisotopic Mass | 389.04504 |
| SMILES | C=C[C@H](O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/t5-,6+,8+,9-,10+,11-/m0/s1 |
| InChIKey | MYHSVHWQEVDFQT-ILPXZUKPSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Isatis indigotica (ncbitaxon:161756) | root (BTO:0001188) | PubMed (29844266) | |
| Brassica napus (ncbitaxon:3708) | - | PubMed (29876936) | Isolated from seeds, sprouts and roots. |
| Brassica oleracea (ncbitaxon:3712) | leaf (BTO:0000713) | PubMed (29472789) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| progoitrin (CHEBI:79352) has role plant metabolite (CHEBI:76924) |
| progoitrin (CHEBI:79352) is a ξ-progoitrin (CHEBI:79350) |
| progoitrin (CHEBI:79352) is conjugate acid of progoitrin(1−) (CHEBI:8454) |
| Incoming Relation(s) |
| progoitrin(1−) (CHEBI:8454) is conjugate base of progoitrin (CHEBI:79352) |
| IUPAC Name |
|---|
| 1-S-[(3R)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2(R)-2-hydroxy-3-butenyl glucosinolate | KEGG COMPOUND |
| glucorapiferin | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C08425 | KEGG COMPOUND |
| HMDB0034071 | HMDB |
| C00001486 | KNApSAcK |
| Progoitrin | Wikipedia |
| FDB012322 | FooDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:55913 | Reaxys |
| CAS:585-95-5 | ChemIDplus |
| CAS:585-95-5 | KEGG COMPOUND |
| Citations |
|---|