HCTOXIN
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HCTOXIN
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CAS No:
83209-65-8
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Formula:
C21H32N4O6
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Chemical Name:
HCTOXIN
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Synonyms:
Toxin I;HC TOXIN;HC toxin I;Cyclo(aoe-Pro-Ala-ala);HC TOXIN FROM HELMINTHOSPORIUM CARBONUM;Cyclo[D-Pro-L-Ala-D-Ala-2-(6-oxo-6-oxiranylhexyl)-L-Gly-];CYCLO-(D-PRO-L-ALA-D-ALA-L-2-AMINO-8-OXO-9,10-EPOXYDECANOIC ACID);Cyclo[L-Ala-D-Ala-[(2S)-2-amino*-8-oxo-8-oxiranyloctanoyl]-D-Pro-];Cyclo(2-amino-8-oxo-9,10-epoxydecanoic acid-prolyl-alanyl-alanine);Cyclic(L-alanyl-D-alanyl-eta-oxo-L-alpha-aminooxiraneoctanoyl-D-prolyl)
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CAS No:
Description
ChEBI: A homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues.
HC toxin is a homodetic cyclic tetrapeptide made up from L-alanyl, D-alanyl, L-prolyl and 2-amino-8-oxo-9,10-epoxydecanoyl residues. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor, a metabolite, a phytotoxin and an antineoplastic agent. It is a homodetic cyclic peptide and a tetrapeptide.
Computed Properties
Molecular Weight:436.5
XLogP3:-0.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:436.23218475
Monoisotopic Mass:436.23218475
Topological Polar Surface Area:137
Heavy Atom Count:31
Complexity:741
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
