BIRD-PRD_002204: HC Toxin

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002204
• Status: Status: REF ONLY
• Name: HC Toxin

BIRD information

• Type: Peptide-like / Inhibitor
• Downloads: Molecular definition / Chemical definition

Source

• Bipolaris zeicola (fungus), :

Chemical information

Composition

Formula: C₂₁H₃₄N₄O₇ / Formula weight: 454.517

• Others: Type: peptide-like

History

• External links: UniChem / ChemSpider / Wikipedia search / Google search

Details

SMILES

• CACTVS 3.385: C[CH]1NC(=O)[CH](C)NC(=O)[CH]2CCCN2C(=O)[CH](CCCCCC(O)(O)[CH]3CO3)NC1=O
• OpenEye OEToolkits 2.0.4: CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)C)CCCCCC(C3CO3)(O)O

SMILES CANONICAL

• CACTVS 3.385: C[C@H]1NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCCC(O)(O)[C@@H]3CO3)NC1=O
• OpenEye OEToolkits 2.0.4: C[C@@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)C)CCCCCC([C@@H]3CO3)(O)O

SYSTEMATIC NAME

• OpenEye OEToolkits 2.0.4: (3~{S},6~{R},9~{S},12~{R})-3-[6,6-bis(oxidanyl)-6-[(2~{S})-oxiran-2-yl]hexyl]-6,9-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone #

PDB entries

Showing all 1 items

PDB-5efj:
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin