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gliotoxin/cysteine

  • Formula: C16H21N3O6S3

  • Molecular weight: 447.60

  • Smiles: CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O.C(C(C(=O)O)N)S

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gliotoxin/cysteine

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

Names

  • Mycotoxin name: gliotoxin/cysteine

  • First synonym: None

  • Synonyms: Gliotoxin/Cysteine,CHEMBL145588

Identifiers / External links

Structure

  • Smiles: CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O.C(C(C(=O)O)N)S

  • Isomeric smiles: CN1C(=O)[C@]23CC4=CC=C[C@@H]([C@H]4N2C(=O)[C@]1(SS3)CO)O.C([C@@H](C(=O)O)N)S

  • Inchi: InChI=1S/C13H14N2O4S2.C3H7NO2S/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-20-12;4-2(1-7)3(5)6/h2-4,8-9,16-17H,5-6H2,1H3;2,7H,1,4H2,(H,5,6)/t8-,9-,12+,13+;2-/m00/s1

  • Inchikey: SPCVCNJNPCFLJM-KCZBXKJOSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H21N3O6S3

  • Molecular weight: 447.60

  • Monoisotopic mass: 447.05924892

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Fungi