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CHEBI:85412 - mitomycin A
| Formula | C16H19N3O6 |
| Net Charge | 0 |
| Average Mass | 349.343 |
| Monoisotopic Mass | 349.12739 |
| SMILES | [H][C@]12N[C@@]1([H])CN1C3=C(C(=O)C(OC)=C(C)C3=O)[C@@H](COC(N)=O)[C@]12OC |
| InChI | InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1 |
| InChIKey | HYFMSAFINFJTFH-NGSRAFSJSA-N |
| Roles Classification |
|---|
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. toxin Poisonous substance produced by a biological organism such as a microbe, animal or plant. alkylating agent Highly reactive chemical that introduces alkyl radicals into biologically active molecules and thereby prevents their proper functioning. It could be used as an antineoplastic agent, but it might be very toxic, with carcinogenic, mutagenic, teratogenic, and immunosuppressant actions. It could also be used as a component of poison gases. bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. 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. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| mitomycin A (CHEBI:85412) has role alkylating agent (CHEBI:22333) |
| mitomycin A (CHEBI:85412) has role antimicrobial agent (CHEBI:33281) |
| mitomycin A (CHEBI:85412) has role antineoplastic agent (CHEBI:35610) |
| mitomycin A (CHEBI:85412) has role toxin (CHEBI:27026) |
| mitomycin A (CHEBI:85412) is a ether (CHEBI:25698) |
| mitomycin A (CHEBI:85412) is a mitomycin (CHEBI:25357) |
| mitomycin A (CHEBI:85412) is conjugate acid of mitomycin A(1−) (CHEBI:84589) |
| Incoming Relation(s) |
| mitomycin A(1−) (CHEBI:84589) is conjugate base of mitomycin A (CHEBI:85412) |
| IUPAC Name |
|---|
| [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-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 |
| Synonyms | Source |
|---|---|
| NSC 75986 | KNApSAcK |
| HSDB 3418 | ChemIDplus |
| mitomycin-A | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| C00018665 | KNApSAcK |
| CPD-17519 | MetaCyc |
| C21161 | KEGG COMPOUND |
| HMDB0254761 | HMDB |
| Registry Numbers | Sources |
|---|---|
| Reaxys:3633130 | Reaxys |
| CAS:4055-39-4 | ChemIDplus |
| Citations |
|---|