Logo Anses
Logo Interreg

Aureobasidin U1

  • Formula: C59H90N8O11

  • Molecular weight: 1087.40

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(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)CC(C)C)C(C)CC)C

Download

Aureobasidin U1

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

Names

  • Mycotoxin name: Aureobasidin U1

  • First synonym: None

  • Synonyms: AUREOBASIDIN-U1,CHEBI:214152,6-benzyl-21,24-di(butan-2-yl)-3-[hydroxy(phenyl)methyl]-4,16,22-trimethyl-18-(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

Identifiers / External links

Structure

  • Smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(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)CC(C)C)C(C)CC)C

  • Isomeric smiles: CCC(C)C1C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)OC(C(=O)NC(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)CC(C)C)C(C)CC)C

  • Inchi: InChI=1S/C59H90N8O11/c1-16-37(11)45-57(75)65(14)47(38(12)17-2)53(71)61-41(31-33(3)4)55(73)64(13)46(35(7)8)59(77)78-50(36(9)10)54(72)62-44(34(5)6)52(70)60-42(32-39-25-20-18-21-26-39)56(74)66(15)48(49(68)40-27-22-19-23-28-40)58(76)67-30-24-29-43(67)51(69)63-45/h18-23,25-28,33-38,41-50,68H,16-17,24,29-32H2,1-15H3,(H,60,70)(H,61,71)(H,62,72)(H,63,69)

  • Inchikey: IVGJUXOSSHPVPV-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C59H90N8O11

  • Molecular weight: 1087.40

  • Monoisotopic mass: 1086.67290572

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi