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Aureobasidin l

  • Formula: C59H90N8O10

  • Molecular weight: 1071.40

  • 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)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

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Aureobasidin l

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

Names

  • Mycotoxin name: Aureobasidin l

  • First synonym: Aureobasidin l

  • Synonyms: Aureobasidin L

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)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

  • Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)N2CCCC2C(=O)N[C@@H](C(=O)N([C@H](C(=O)NC(C(=O)N(C(C(=O)O1)C(C)C)C)CC(C)C)C(C)C)C)C(C)C)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C

  • Inchi: InChI=1S/C59H90N8O10/c1-17-39(12)50-58(75)65(15)48(37(8)9)53(70)61-43(32-40-25-20-18-21-26-40)54(71)63(13)45(33-41-27-22-19-23-28-41)56(73)67-30-24-29-44(67)51(68)62-46(35(4)5)57(74)64(14)47(36(6)7)52(69)60-42(31-34(2)3)55(72)66(16)49(38(10)11)59(76)77-50/h18-23,25-28,34-39,42-50H,17,24,29-33H2,1-16H3,(H,60,69)(H,61,70)(H,62,68)/t39-,42?,43+,44?,45+,46+,47-,48+,49?,50-/m0/s1

  • Inchikey: NVLSADONUFBQAB-XXDQGJNSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C59H90N8O10

  • Molecular weight: 1071.40

  • Monoisotopic mass: 1070.6779911

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