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CHEBI:48028 - HC toxin
| Formula | C21H32N4O6 |
| Net Charge | 0 |
| Average Mass | 436.509 |
| Monoisotopic Mass | 436.23218 |
| SMILES | [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)C1CO1)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC2=O |
| InChI | InChI=1S/C21H32N4O6/c1-12-18(27)22-13(2)19(28)24-14(7-4-3-5-9-16(26)17-11-31-17)21(30)25-10-6-8-15(25)20(29)23-12/h12-15,17H,3-11H2,1-2H3,(H,22,27)(H,23,29)(H,24,28)/t12-,13+,14-,15+,17?/m0/s1 |
| InChIKey | GNYCTMYOHGBSBI-KVUCBBCISA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | phytotoxin Any toxin produced by a plant. EC 3.5.1.98 (histone deacetylase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98). 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) |
| HC toxin (CHEBI:48028) has role antineoplastic agent (CHEBI:35610) |
| HC toxin (CHEBI:48028) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115) |
| HC toxin (CHEBI:48028) has role metabolite (CHEBI:25212) |
| HC toxin (CHEBI:48028) has role phytotoxin (CHEBI:38231) |
| HC toxin (CHEBI:48028) is a homodetic cyclic peptide (CHEBI:24613) |
| HC toxin (CHEBI:48028) is a tetrapeptide (CHEBI:48030) |
| Synonyms | Source |
|---|---|
| Cyclo(2-amino-8-oxo-9,10-epoxydecanoic acid-prolyl-alanyl-alanine) | ChemIDplus |
| Cyclo(aoe-pro-ala-ala) | ChemIDplus |
| HC-toxin | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Reaxys:4729824 | Reaxys |
| CAS:83209-65-8 | ChemIDplus |
| CAS:83209-65-8 | KEGG COMPOUND |
| Citations |
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