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Hexylitaconic acid

  • Formula: C11H18O4

  • Molecular weight: 214.26

  • Smiles: CCCCCCC(C(=C)C(=O)O)C(=O)O

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Hexylitaconic acid

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

Names

  • Mycotoxin name: Hexylitaconic acid

  • First synonym: Hexylitaconic acid

  • Synonyms: Hexylitaconic Acid,(-)-Hexylitaconic acid,2-hexyl-3-methylidenebutanedioic acid,(?)-Hexylitaconic acid,MLS000876945,CHEMBL199341,MEGxm0_000045,SCHEMBL9231241,ACon0_000685,ACon1_001940,2-Hexyl-3-methylenesuccinic acid,CHEBI:188754,HMS2268D03,BDBM50475573,2-methylene-3-hexyl-butanedioic acid,BS-1561,NCGC00179983-01,SMR000440626,BRD-A85835458-001-01-9,723302-30-5,94513-51-6

Identifiers / External links

Structure

  • Smiles: CCCCCCC(C(=C)C(=O)O)C(=O)O

  • Isomeric smiles: CCCCCCC(C(=C)C(=O)O)C(=O)O

  • Inchi: InChI=1S/C11H18O4/c1-3-4-5-6-7-9(11(14)15)8(2)10(12)13/h9H,2-7H2,1H3,(H,12,13)(H,14,15)

  • Inchikey: HKMDCNSGDQBQLI-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C11H18O4

  • Molecular weight: 214.26

  • Monoisotopic mass: 214.12050905

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