EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C25H37N3O12S |
| Net Charge | 0 |
| Average Mass | 603.647 |
| Monoisotopic Mass | 603.20979 |
| SMILES | [H][C@@]12O[C@]3([H])[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)[C@@H](C)C(=O)[C@@H](O)[C@]3(CO)[C@@](C)(C[C@H]1O)[C@]21CO1 |
| InChI | InChI=1S/C25H37N3O12S/c1-10-16(34)18(35)24(8-29)20(40-19-13(30)5-23(24,2)25(19)9-39-25)17(10)41-7-12(21(36)27-6-15(32)33)28-14(31)4-3-11(26)22(37)38/h10-13,17-20,29-30,35H,3-9,26H2,1-2H3,(H,27,36)(H,28,31)(H,32,33)(H,37,38)/t10-,11-,12-,13+,17+,18+,19+,20+,23+,24-,25-/m0/s1 |
| InChIKey | MZJDROJQANXOKH-ZMJKPVNDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium (ncbitaxon:5506) | - | PubMed (32167285) |
| Roles Classification |
|---|
| Biological Role: | mycotoxin Poisonous substance produced by fungi. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DON-10-glutathione (CHEBI:149452) has functional parent deoxynivalenol (CHEBI:10022) |
| DON-10-glutathione (CHEBI:149452) has functional parent glutathione (CHEBI:16856) |
| DON-10-glutathione (CHEBI:149452) is a trichothecene (CHEBI:55517) |
| Synonyms | Source |
|---|---|
| deoxynivalenol 10-glutathione | SUBMITTER |
| DON-10-GSH | SUBMITTER |