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Aureobasidin U2

  • Formula: C58H88N8O11

  • Molecular weight: 1073.40

  • Smiles: CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N1C)C(C)C)C(C3=CC=CC=C3)O)C)CC4=CC=CC=C4)C(C)C)C(C)C)C(C)C)C)CC(C)C

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Aureobasidin U2

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

Names

  • Mycotoxin name: Aureobasidin U2

  • First synonym: None

  • Synonyms: AUREOBASIDIN-U2,CHEBI:203669,6-benzyl-21-butan-2-yl-3-[hydroxy(phenyl)methyl]-4,16,22-trimethyl-18-(2-methylpropyl)-9,12,15,24-tetra(propan-2-yl)-13-oxa-1,4,7,10,16,19,22,25-octazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone

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Structure

  • Smiles: CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N1C)C(C)C)C(C3=CC=CC=C3)O)C)CC4=CC=CC=C4)C(C)C)C(C)C)C(C)C)C)CC(C)C

  • Isomeric smiles: CCC(C)C1C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N1C)C(C)C)C(C3=CC=CC=C3)O)C)CC4=CC=CC=C4)C(C)C)C(C)C)C(C)C)C)CC(C)C

  • Inchi: InChI=1S/C58H88N8O11/c1-16-37(12)46-52(70)60-40(30-32(2)3)54(72)63(13)45(35(8)9)58(76)77-49(36(10)11)53(71)61-43(33(4)5)51(69)59-41(31-38-24-19-17-20-25-38)55(73)65(15)47(48(67)39-26-21-18-22-27-39)57(75)66-29-23-28-42(66)50(68)62-44(34(6)7)56(74)64(46)14/h17-22,24-27,32-37,40-49,67H,16,23,28-31H2,1-15H3,(H,59,69)(H,60,70)(H,61,71)(H,62,68)

  • Inchikey: UTZDHXIEFZQEIN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C58H88N8O11

  • Molecular weight: 1073.40

  • Monoisotopic mass: 1072.65725565

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