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Aureobasidin k

  • Formula: C60H92N8O10

  • Molecular weight: 1085.40

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

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Aureobasidin k

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

Names

  • Mycotoxin name: Aureobasidin k

  • First synonym: Aureobasidin k

  • Synonyms: Aureobasidin K

Identifiers / External links

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

  • Isomeric smiles: CC[C@H](C)C1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N([C@@H](C(=O)O[C@H](C(=O)N([C@@H](C(=O)NC(C(=O)N([C@H](C(=O)N2CCC[C@H]2C(=O)N1)CC3=CC=CC=C3)C)CC4=CC=CC=C4)C(C)C)C)C(C)CC)C(C)C)C)CC(C)C)C(C)C)C

  • Inchi: InChI=1S/C60H92N8O10/c1-17-39(11)47-58(75)65(14)48(36(5)6)53(70)61-43(32-35(3)4)56(73)67(16)50(38(9)10)60(77)78-51(40(12)18-2)59(76)66(15)49(37(7)8)54(71)62-44(33-41-26-21-19-22-27-41)55(72)64(13)46(34-42-28-23-20-24-29-42)57(74)68-31-25-30-45(68)52(69)63-47/h19-24,26-29,35-40,43-51H,17-18,25,30-34H2,1-16H3,(H,61,70)(H,62,71)(H,63,69)/t39-,40?,43+,44?,45-,46-,47?,48+,49+,50+,51-/m0/s1

  • Inchikey: AWEWXWTYLIFPQT-IYZFFQQPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C60H92N8O10

  • Molecular weight: 1085.40

  • Monoisotopic mass: 1084.69364116

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