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CHEBI:48028 - HC toxin

ChEBI IDCHEBI:48028
ChEBI NameHC toxin
Stars
DefinitionA homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues.
Last Modified3 August 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC21H32N4O6
Net Charge0
Average Mass436.509
Monoisotopic Mass436.23218
SMILES[H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)C1CO1)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC2=O
InChIInChI=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
InChIKeyGNYCTMYOHGBSBI-KVUCBBCISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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).
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
HC-toxinChemIDplus
Cyclo(2-amino-8-oxo-9,10-epoxydecanoic acid-prolyl-alanyl-alanine)ChemIDplus
Cyclo(aoe-pro-ala-ala)ChemIDplus
Manual XrefsDatabases
C15676KEGG COMPOUND
EP2194061Patent
Registry NumbersSources
Reaxys:4729824Reaxys
CAS:83209-65-8ChemIDplus
CAS:83209-65-8KEGG COMPOUND
Citations