alpha-Amatoxin

Amanitins Cyclic peptides extracted from carpophores of various mushroom species. They are potent inhibitors of RNA polymerases in most eukaryotic species, blocking the production of mRNA and protein synthesis. These peptides are important in the study of transcription. Alpha-amanitin is the main toxin from the species Amanitia phalloides, poisonous if ingested by humans or animals.

Molecular Formula: C₃₉H₅₄N₁₀O₁₄S

InChI: InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)/t16-,17-,19+,23-,24-,25-,26-,27-,31-,32-,64+/m0/s1/f/h41-45,47-48H,40H2

InChIKey: InChIKey=CIORWBWIBBPXCG-MKELGLIBDL
SMILES: [H][C@]12Cc3c([nH]c4cc(O)ccc34)S(=O)C[C@]([H])(NC(=O)CNC(=O)[C@@]([H])(NC(=O)CNC1=O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N5C[C@H](O)C[C@@]5([H])C(=O)N[C@@]([H])([C@@H](C)[C@@H](O)CO)C(=O)N2

Names:
    alpha-amanitin
    alpha-Amanitin
    alpha-Amanitine
    alpha-amanitin
    alpha-Amatoxin
    C08438
    23109-05-9

Registries:
    PubChem CID 9543442
    ChEBI 37415
    Kegg C08438
    PubChem ID 10632