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Sirodesmin C

  • Formula: C20H26N2O8S3

  • Molecular weight: 518.60

  • Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SSS5)CO)O)(C)C

  • Type: Epipolythiopiperazine-3,6-dione

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Sirodesmin C

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Sirodesmin C

  • First synonym: None

  • Synonyms: Sirodesmin C,YORDWFCXQCUPHI-UPHHEOHLSA-N

Identifiers / External links

Structure

  • Smiles: CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SSS5)CO)O)(C)C

  • Isomeric smiles: CC1C(C(=O)[C@@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(C[C@]45N3C(=O)[C@](N(C4=O)C)(SSS5)CO)O)(C)C

  • Inchi: InChI=1S/C20H26N2O8S3/c1-9-16(3,4)12(25)18(30-9)6-11-17(28,13(18)29-10(2)24)7-19-14(26)21(5)20(8-23,32-33-31-19)15(27)22(11)19/h9,11,13,23,28H,6-8H2,1-5H3/t9?,11-,13+,17+,18+,19-,20-/m1/s1

  • Inchikey: YORDWFCXQCUPHI-UPHHEOHLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C20H26N2O8S3

  • Molecular weight: 518.60

  • Monoisotopic mass: 518.08512931

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Fungi

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