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Aureobasidin T3

  • Formula: C60H92N8O11

  • Molecular weight: 1101.40

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)C(C3=CC=CC=C3)O)C)CC4=CC=CC=C4)C(C)C)C)C(C)C)C(C)C)C)CC(C)C)CC(C)C)C

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Aureobasidin T3

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

  • Mycotoxin name: Aureobasidin T3

  • First synonym: None

  • Synonyms: AUREOBASIDIN-T3,CHEBI:214983,6-benzyl-24-butan-2-yl-3-[hydroxy(phenyl)methyl]-4,10,16,22-tetramethyl-18,21-bis(2-methylpropyl)-9,12,15-tri(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)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)C(C3=CC=CC=C3)O)C)CC4=CC=CC=C4)C(C)C)C)C(C)C)C(C)C)C)CC(C)C)CC(C)C)C

  • Isomeric smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)N1)C(C3=CC=CC=C3)O)C)CC4=CC=CC=C4)C(C)C)C)C(C)C)C(C)C)C)CC(C)C)CC(C)C)C

  • Inchi: InChI=1S/C60H92N8O11/c1-17-39(12)46-57(75)64(13)45(32-35(4)5)53(71)61-42(31-34(2)3)55(73)66(15)48(37(8)9)60(78)79-51(38(10)11)59(77)65(14)47(36(6)7)54(72)62-43(33-40-25-20-18-21-26-40)56(74)67(16)49(50(69)41-27-22-19-23-28-41)58(76)68-30-24-29-44(68)52(70)63-46/h18-23,25-28,34-39,42-51,69H,17,24,29-33H2,1-16H3,(H,61,71)(H,62,72)(H,63,70)

  • Inchikey: WOLXHWJXSQBTRO-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C60H92N8O11

  • Molecular weight: 1101.40

  • Monoisotopic mass: 1100.68855578

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