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CHEBI:85416 - mitomycin B
| Formula | C16H19N3O6 |
| Net Charge | 0 |
| Average Mass | 349.343 |
| Monoisotopic Mass | 349.12739 |
| SMILES | [H][C@]12N(C)[C@@]1([H])CN1C3=C(C(=O)C(OC)=C(C)C3=O)[C@H](COC(N)=O)[C@]12O |
| InChI | InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)24-3)7(5-25-15(17)22)16(23)14-8(18(14)2)4-19(10)16/h7-8,14,23H,4-5H2,1-3H3,(H2,17,22)/t7-,8-,14-,16+,18?/m0/s1 |
| InChIKey | UZUUQCBCWDBYCG-DQRAMIIBSA-N |
| Roles Classification |
|---|
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. intercalator A role played by a chemical agent which exhibits the capability of occupying space between DNA base pairs due to particular properties in size, shape and charge. Intercalation of chemical compounds in DNA helix can result in replication errors (shift, mutation) or DNA damages. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mitomycin B (CHEBI:85416) has role antimicrobial agent (CHEBI:33281) |
| mitomycin B (CHEBI:85416) has role antineoplastic agent (CHEBI:35610) |
| mitomycin B (CHEBI:85416) is a ether (CHEBI:25698) |
| mitomycin B (CHEBI:85416) is a mitomycin (CHEBI:25357) |
| mitomycin B (CHEBI:85416) is conjugate acid of mitomycin B(1−) (CHEBI:84590) |
| Incoming Relation(s) |
| mitomycin B(1−) (CHEBI:84590) is conjugate base of mitomycin B (CHEBI:85416) |
| IUPAC Name |
|---|
| [(1aS,8R,8aR,8bS)-8a-hydroxy-6-methoxy-1,5-dimethyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate |
| Synonym | Source |
|---|---|
| HSDB 3419 | ChemIDplus |
| Citations |
|---|