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CHEBI:17127 - glucotropeolin
| Formula | C14H19NO9S2 |
| Net Charge | 0 |
| Average Mass | 409.438 |
| Monoisotopic Mass | 409.05012 |
| SMILES | O=S(=O)(O)O/N=C(/Cc1ccccc1)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |
| InChI | InChI=1S/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/b15-10-/t9-,11-,12+,13-,14+/m1/s1 |
| InChIKey | QQGLQYQXUKHWPX-RFEZBLSLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Carica papaya (ncbitaxon:3649) | - | PubMed (22305790) |
| Roles Classification |
|---|
| Biological Role: | 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) |
| glucotropeolin (CHEBI:17127) has functional parent (Z)-desulfoglucotropeolin (CHEBI:136422) |
| glucotropeolin (CHEBI:17127) has functional parent desulfoglucotropeolin (CHEBI:15911) |
| glucotropeolin (CHEBI:17127) is a aralkylglucosinolic acid (CHEBI:79342) |
| glucotropeolin (CHEBI:17127) is a benzenes (CHEBI:22712) |
| glucotropeolin (CHEBI:17127) is conjugate acid of glucotropeolin(1−) (CHEBI:58021) |
| Incoming Relation(s) |
| glucolimnanthin(1−) (CHEBI:5409) has functional parent glucotropeolin (CHEBI:17127) |
| glucotropeolin(1−) (CHEBI:58021) is conjugate base of glucotropeolin (CHEBI:17127) |
| IUPAC Name |
|---|
| 1-S-[(1Z)-2-phenyl-N-(sulfooxy)ethanimidoyl]-1-thio-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| Glucotropeolin | KEGG COMPOUND |
| Glucotropaeolin | KEGG COMPOUND |
| benzylglucosinolate | ChEBI |
| Benzyl glucosinolate | ChEBI |
| Glucotropeolin | KEGG COMPOUND |
| Benzyl glucosinolate | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C02153 | KEGG COMPOUND |
| HMDB0038419 | HMDB |
| C00007346 | KNApSAcK |
| Registry Numbers | Sources |
|---|---|
| Reaxys:61369 | Reaxys |
| CAS:499-26-3 | KEGG COMPOUND |
| CAS:499-26-3 | ChemIDplus |
| Citations |
|---|