CHEBI:48028 - HC toxin

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ChEBI Name HC toxin
ChEBI ID CHEBI:48028
Definition A homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H32N4O6
Net Charge 0
Average Mass 436.50214
Monoisotopic Mass 436.23218
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
SMILES [H][C@]12CCCN1C(=O)[C@H](CCCCCC(=O)C1CO1)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC2=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): 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.
phytotoxin
Any toxin produced by a plant.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Cyclo(2-amino-8-oxo-9,10-epoxydecanoic acid-prolyl-alanyl-alanine) ChemIDplus
Cyclo(aoe-pro-ala-ala) ChemIDplus
HC-toxin ChemIDplus
Manual Xrefs Databases
C15676 KEGG COMPOUND
EP2194061 Patent
View more database links
Registry Numbers Types Sources
4729824 Beilstein Registry Number Beilstein
4729824 Reaxys Registry Number Reaxys
83209-65-8 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10671527 PubMed citation Europe PMC
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Last Modified
04 August 2014