EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H25N3O7S |
| Net Charge | 0 |
| Average Mass | 451.501 |
| Monoisotopic Mass | 451.14132 |
| SMILES | N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1c2ccccc2C=C[C@H]1O)C(=O)NCC(=O)O)C(=O)O |
| InChI | InChI=1S/C20H25N3O7S/c21-13(20(29)30)6-8-16(25)23-14(19(28)22-9-17(26)27)10-31-18-12-4-2-1-3-11(12)5-7-15(18)24/h1-5,7,13-15,18,24H,6,8-10,21H2,(H,22,28)(H,23,25)(H,26,27)(H,29,30)/t13-,14-,15+,18+/m0/s1 |
| InChIKey | UWBZAZWPTVBBEL-OIPACUDHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene (CHEBI:33993) is a peptide (CHEBI:16670) |
| Synonym | Source |
|---|---|
| (1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene | KEGG COMPOUND |
| Manual Xrefs | Databases |
|---|---|
| C14793 | KEGG COMPOUND |
| HMDB0060299 | HMDB |