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Aureobasidin m

  • Formula: C59H90N8O10

  • Molecular weight: 1071.40

  • 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)NC(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)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 m

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

  • Mycotoxin name: Aureobasidin m

  • First synonym: Aureobasidin m

  • Synonyms: Aureobasidin M

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)NC(C(=O)N2CCCC2C(=O)N1)CC3=CC=CC=C3)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)[C@H]1C(=O)N([C@@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N2CCCC2C(=O)NC(C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)O1)C(C)C)C)CC(C)C)C(C)C)C)[C@@H](C)CC)CC3=CC=CC=C3)CC4=CC=CC=C4)C(C)C)C

  • Inchi: InChI=1S/C59H90N8O10/c1-16-38(11)46-57(74)64(13)47(35(5)6)54(71)62-43(31-34(3)4)55(72)66(15)49(37(9)10)59(76)77-50(39(12)17-2)58(75)65(14)48(36(7)8)53(70)60-42(32-40-25-20-18-21-26-40)51(68)61-44(33-41-27-22-19-23-28-41)56(73)67-30-24-29-45(67)52(69)63-46/h18-23,25-28,34-39,42-50H,16-17,24,29-33H2,1-15H3,(H,60,70)(H,61,68)(H,62,71)(H,63,69)/t38-,39-,42+,43-,44+,45?,46?,47-,48+,49-,50-/m0/s1

  • Inchikey: KFNVGPOWEXOFON-RQGMIZERSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C59H90N8O10

  • Molecular weight: 1071.40

  • Monoisotopic mass: 1070.6779911

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