EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H20N2O6S |
| Net Charge | 0 |
| Average Mass | 416.455 |
| Monoisotopic Mass | 416.10421 |
| SMILES | C=Cc1ccc(OC(=O)c2ccc(O)c(N)c2SC[C@@H](NC(C)=O)C(=O)O)cc1 |
| InChI | InChI=1S/C20H20N2O6S/c1-3-12-4-6-13(7-5-12)28-20(27)14-8-9-16(24)17(21)18(14)29-10-15(19(25)26)22-11(2)23/h3-9,15,24H,1,10,21H2,2H3,(H,22,23)(H,25,26)/t15-/m1/s1 |
| InChIKey | JHYFUEHJYLZHTG-OAHLLOKOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | - | PubMed (28504888) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Bagremycin C (CHEBI:207430) is a carbonyl compound (CHEBI:36586) |
| IUPAC Name |
|---|
| (2S)-2-acetamido-3-[2-amino-6-(4-ethenylphenoxy)carbonyl-3-hydroxyphenyl]sulanylpropanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 62277939 | ChemSpider |