PRE

PREPHENIC ACID


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Chemical Component Summary

NamePREPHENIC ACID
Identifiers4-hydroxy-1-(3-hydroxy-2,3-dioxo-propyl)cyclohexa-2,5-diene-1-carboxylic acid
FormulaC10 H10 O6
Molecular Weight226.183
TypeNON-POLYMER
Isomeric SMILESC1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O
InChIInChI=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+
InChIKeyFPWMCUPFBRFMLH-XGAOUMNUSA-N

Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count26
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB08427 
NamePrephenic acid
Groups experimental
Synonyms
  • cis-prephenic acid
  • Prephenic acid
  • (1s,4s)-prephenic acid
  • cis-1-Carboxy-4-hydroxy-alpha-oxo-2,5-cyclohexadiene-1-propanoic acid
Categories
  • Acids, Carbocyclic
  • Cyclohexanes
  • Cycloparaffins
CAS number126-49-8

Drug Targets

NameTarget SequencePharmacological ActionActions
Chorismate mutase AroHMMIRGIRGATTVERDTEEEILQKTKQLLEKIIEENHTKPEDVVQMLLSAT...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682