Logo Anses
Logo Interreg

AAL toxin TE2

  • Formula: C27H49NO9

  • Molecular weight: 531.70

  • Smiles: CCC(C)C(C(CC(C)CCCCCCCCC(CNC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O

  • Type: Fumonisin

Download

AAL toxin TE2

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

Names

  • Mycotoxin name: AAL toxin TE2

  • First synonym: None

  • Synonyms: AAL Toxin TE2,(2R)-2-[2-[(3R,4R,5S,7S,16S)-17-acetamido-5,16-dihydroxy-3,7-dimethylheptadecan-4-yl]oxy-2-oxoethyl]butanedioic acid,(2R)-2-(2-((3R,4R,5S,7S,16S)-17-acetamido-5,16-dihydroxy-3,7-dimethylheptadecan-4-yl)oxy-2-oxoethyl)butanedioic acid,CHEBI:225489

Identifiers / External links

Structure

  • Smiles: CCC(C)C(C(CC(C)CCCCCCCCC(CNC(=O)C)O)O)OC(=O)CC(CC(=O)O)C(=O)O

  • Isomeric smiles: CC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@@H](CNC(=O)C)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O

  • Inchi: InChI=1S/C27H49NO9/c1-5-19(3)26(37-25(34)16-21(27(35)36)15-24(32)33)23(31)14-18(2)12-10-8-6-7-9-11-13-22(30)17-28-20(4)29/h18-19,21-23,26,30-31H,5-17H2,1-4H3,(H,28,29)(H,32,33)(H,35,36)/t18-,19+,21+,22-,23-,26+/m0/s1

  • Inchikey: QTIJREXVLUELSX-IGLGTWCISA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C27H49NO9

  • Molecular weight: 531.70

  • Monoisotopic mass: 531.34073214

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