EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H22N2O6S |
| Net Charge | 0 |
| Average Mass | 430.482 |
| Monoisotopic Mass | 430.11986 |
| SMILES | C=Cc1ccc(OC(=O)c2ccc(O)c(N)c2SC[C@@H](NC(C)=O)C(=O)OC)cc1 |
| InChI | InChI=1S/C21H22N2O6S/c1-4-13-5-7-14(8-6-13)29-20(26)15-9-10-17(25)18(22)19(15)30-11-16(21(27)28-3)23-12(2)24/h4-10,16,25H,1,11,22H2,2-3H3,(H,23,24)/t16-/m1/s1 |
| InChIKey | DIBMSUDUIWTZJY-MRXNPFEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (30213054) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bagremycin F (CHEBI:214174) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (4-ethenylphenyl) 2-[(2S)-2-acetamido-3-methoxy-3-oxopropyl]sulanyl-3-amino-4-hydroxybenzoate |
| Manual Xrefs | Databases |
|---|---|
| 78439284 | ChemSpider |