BIRD-PRD_002301: phalloidin

Basic information

• Entry: Database: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_002301
• Status: Status: REF ONLY
• Name: phalloidin

BIRD information

• Type: Cyclic peptide / Toxin
• Downloads: Molecular definition / Chemical definition

Source

• Amanita phalloides (death cap), .: .

Chemical information

Composition

Formula: C₃₅H₄₇N₈O₁₁S / Formula weight: 787.86

• Others: Type: peptide-like

History

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

Details

SMILES

• CACTVS 3.385: C[CH](O)[CH]1NC(=O)[CH](C)NC(=O)[CH](C[C](C)(O)CO)NC(=O)[CH]2Cc3c4ccccc4n5[S](C[CH](NC1=O)C(=O)N6C[CH](O)C[CH]6C(=O)N[CH](C)C(=O)N2)c35
• OpenEye OEToolkits 2.0.6: CC1C(=O)NC2Cc3c4ccccc4n5c3[S]5CC(C(=O)N6CC(CC6C(=O)N1)O)NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CC(C)(CO)O)C)C(C)O

SMILES CANONICAL

• CACTVS 3.385: C[C@@H](O)[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](C[C@@](C)(O)CO)NC(=O)[C@@H]2Cc3c4ccccc4n5[S@](C[C@@H](NC1=O)C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)C(=O)N2)c35
• OpenEye OEToolkits 2.0.6: C[C@H]1C(=O)N[C@H]2Cc3c4ccccc4n5c3[S]5C[C@H](C(=O)N6C[C@@H](C[C@H]6C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CO)O)C)[C@@H](C)O

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