EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:32202 - tetracenomycin D3
| Formula | C20H12O8 |
| Net Charge | 0 |
| Average Mass | 380.308 |
| Monoisotopic Mass | 380.05322 |
| SMILES | Cc1c(C(=O)O)c(O)cc2cc3c(c(O)c12)C(=O)c1c(O)cc(O)cc1C3=O |
| InChI | InChI=1S/C20H12O8/c1-6-13-7(3-11(22)14(6)20(27)28)2-9-16(18(13)25)19(26)15-10(17(9)24)4-8(21)5-12(15)23/h2-5,21-23,25H,1H3,(H,27,28) |
| InChIKey | OXCNORDLEQIUCT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tetracenomycin D3 (CHEBI:32202) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| tetracenomycin D3 (CHEBI:32202) is a phenols (CHEBI:33853) |
| tetracenomycin D3 (CHEBI:32202) is a tetracenequinones (CHEBI:51286) |
| tetracenomycin D3 (CHEBI:32202) is a tetracenomycin (CHEBI:48132) |
| tetracenomycin D3 (CHEBI:32202) is conjugate acid of tetracenomycin D3(1−) (CHEBI:74934) |
| Incoming Relation(s) |
| tetracenomycin D3 methyl ester (CHEBI:32203) has functional parent tetracenomycin D3 (CHEBI:32202) |
| tetracenomycin D3(1−) (CHEBI:74934) is conjugate base of tetracenomycin D3 (CHEBI:32202) |
| IUPAC Name |
|---|
| 3,8,10,12-tetrahydroxy-1-methyl-6,11-dioxo-6,11-dihydrotetracene-2-carboxylic acid |
| Synonyms | Source |
|---|---|
| Tetracenomycin D(3) | ChemIDplus |
| Tetracenomycin D3 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8807953 | Reaxys |
| CAS:117241-61-9 | ChemIDplus |
| Citations |
|---|