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Aureobasidin i

  • Formula: C60H92N8O11

  • Molecular weight: 1101.40

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

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Aureobasidin i

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

Names

  • Mycotoxin name: Aureobasidin i

  • First synonym: Aureobasidin i

  • Synonyms: Aureobasidin I,Antibiotic R 106VIII,5-L-Leucineaureobasidin A,Aureobasidin A, 5-L-leucine-,127785-69-7

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

  • Isomeric smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N2CCCC2C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C(C)(C)O)C)CC(C)C)C(C)C)C)CC(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

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

  • Inchikey: TXPKSEBYLYJCPU-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C60H92N8O11

  • Molecular weight: 1101.40

  • Monoisotopic mass: 1100.68855578

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