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ChEBI
> Main
CHEBI:48028 - HC toxin
Main
ChEBI Ontology
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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.
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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 (Br
o
nsted 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
Types
Sources
10671527
PubMed citation
Europe PMC
12297630
PubMed citation
Europe PMC
15283467
PubMed citation
Europe PMC
16839576
PubMed citation
Europe PMC
18074352
PubMed citation
Europe PMC
18230731
PubMed citation
Europe PMC
18262346
PubMed citation
Europe PMC
19737099
PubMed citation
Europe PMC
3918884
PubMed citation
Europe PMC
9917303
PubMed citation
Europe PMC
Last Modified
04 August 2014