EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28N2O9 |
| Net Charge | 0 |
| Average Mass | 464.471 |
| Monoisotopic Mass | 464.17948 |
| SMILES | CC(C)C(=O)OC1C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC(=O)C1C |
| InChI | InChI=1S/C22H28N2O9/c1-10(2)20(28)33-18-11(3)21(29)31-12(4)16(22(30)32-13(18)5)24-19(27)14-7-6-8-15(17(14)26)23-9-25/h6-13,16,18,26H,1-5H3,(H,23,25)(H,24,27) |
| InChIKey | WJILAMJSXMNDKI-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (7787309) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Usf-19a (CHEBI:220582) is a amidobenzoic acid (CHEBI:48470) |
| IUPAC Name |
|---|
| [3-[(3-ormamido-2-hydroxybenzoyl)amino]-2,6,8-trimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate |
| Manual Xrefs | Databases |
|---|---|
| 8610004 | ChemSpider |