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CHEBI:177804 - Eravacycline
| Formula | C27H31FN4O8 |
| Net Charge | 0 |
| Average Mass | 558.563 |
| Monoisotopic Mass | 558.21259 |
| SMILES | [H][C@@]12Cc3c(F)cc(NC(=O)CN4CCCC4)c(O)c3C(O)=C1C(=O)[C@]1(O)C(O)=C(C(N)=O)C(=O)[C@@H](N(C)C)[C@]1([H])C2 |
| InChI | InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1 |
| InChIKey | AKLMFDDQCHURPW-ISIOAQNYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Sus scrofa (ncbitaxon:9823) | sausage (ENVO:00002166) | MetaboLights (MTBLS2871) |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Eravacycline (CHEBI:177804) is a tetracyclines (CHEBI:26895) |
| IUPAC Name |
|---|
| (4S,4aS,5aR,12aR)-4-(dimethylamino)-7-luoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[(2-pyrrolidin-1-ylacetyl)amino]-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide |