Prephenic Acid
Prephenic_acid synonyms
2,5-Cyclohexadiene-1-propanoic acid, 1-carboxy-4-hydroxy-alpha-oxo-; Prephenate; 1-Carboxy-4-hydroxy-2,5-cyclohexadiene-1-pyruvic acid
Graphical representations:
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=1S/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)/t6-,10+
IUPAC: 1-(2-carboxy-2-oxo-ethyl)-4-hydroxy-cyclohexa-2,5-diene-1-carboxylic acid
PubChem Compound (CID): 1028KEGG Compound ID: C00254
CAS Registry number: 126-49-8
ChEBI: 29934
PDB Compound ID: PRE
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)