EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:750469 - berubicin hydrochloride
| Formula | C34H35NO11.HCl |
| Net Charge | 0 |
| Average Mass | 670.111 |
| Monoisotopic Mass | 669.19769 |
| SMILES | COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](OCc2ccccc2)[C@H](C)O1.Cl |
| InChI | InChI=1S/C34H35NO11.ClH/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40;/h3-10,16,20,22,24,33,36,39,41-42H,11-15,35H2,1-2H3;1H/t16-,20-,22-,24-,33+,34-;/m0./s1 |
| InChIKey | GPMIHHFZKBVWAZ-LMMKTYIZSA-N |
| 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. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| berubicin hydrochloride (CHEBI:750469) has role antineoplastic agent (CHEBI:35610) |
| berubicin hydrochloride (CHEBI:750469) is a anthracycline (CHEBI:48120) |
| Synonyms | Source |
|---|---|
| Berubicin hcl | ChEMBL |
| Berubicin hydrochloride | ChEMBL |
| RTA 744 | ChEMBL |
| RTA-744 | ChEMBL |
| WP-744 | ChEMBL |
| WP744 | ChEMBL |