Chorismic Acid

Chorismic Acid bmse000075 - Data bmse000998 - Data bmst000056 - Theory

Chorismic_acid synonyms

1,5-Cyclohexadiene-1-carboxylic acid, 3-((1-carboxyethenyl)oxy)-4-hydroxy-, (3R-trans)-; CHORISMIC ACID; 55508-12-8; Chorismate; Chorismic acid

Wikipedia:

Graphical representations:

chorismic_acid

View large 3D structure

Molecular Formula: C10H10O6

Natural Isotopic Abundance Mass: 226.1828000000

Mono-Isotopic Molecular Masses:

  • C12N14: 226.047738054
  • C13N14: 236.081286432
  • C12N15: 226.047738054
  • C13N15: 236.081286432

InChI string: InChI=1/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m1/s1/f/h12,14H

IUPAC: (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxy-cyclohexa-1,5-diene-1-carboxylic acid

PubChem Compound (CID): 12039
KEGG Compound ID: C00251
CAS Registry number: 617-12-9
ChEBI: 17333

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)