PPY

3-PHENYLPYRUVIC ACID

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of PPY
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Chemical Component Summary

Name3-PHENYLPYRUVIC ACID
Systematic Name (OpenEye OEToolkits)2-oxo-3-phenyl-propanoic acid
FormulaC9 H8 O3
Molecular Weight164.158
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(C(=O)O)Cc1ccccc1
SMILESCACTVS3.341OC(=O)C(=O)Cc1ccccc1
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CC(=O)C(=O)O
Canonical SMILESCACTVS3.341 OC(=O)C(=O)Cc1ccccc1
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)CC(=O)C(=O)O
InChIInChI1.03 InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
InChIKeyInChI1.03 BTNMPGBKDVTSJY-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03884 
NamePhenylpyruvic acid
Groups experimental
Synonyms
  • 3-phenylpyruvic acid
  • keto-Phenylpyruvate
  • 2-oxo-3-phenylpropanic acid
  • 3-phenyl-2-oxopropanoate
  • Phenylpyruvic acid
Categories
  • Acids, Carbocyclic
  • Keto Acids
  • Pyruvates
CAS number156-06-9

Drug Targets

NameTarget SequencePharmacological ActionActions
L-phenylalanine dehydrogenaseMSIDSALNWDGEMTVTRFDRETGAHFVIRLDSTQLGPAAGGTRAAQYSQL...unknown
Hydroxyacid oxidase 1MLPRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSRWKLY...unknown
Indole-3-pyruvate decarboxylaseMKLAEALLRALKDRGAQAMFGIPGDFALPFFKVAEETQILPLHTLSHEPA...unknown
Putative uncharacterized proteinMENREPPLLPARWSSAYVSYWSPMLPDDQLTSGYCWFDYERDICRIDGLF...unknown
Bacilysin biosynthesis protein BacBMKTKEDMQELYFPTPKLIEWENGVRQYSTVRGDTEVLMSYVPPHTNVEPH...unknown
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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

Related Resource References

Resource NameReference
PubChem 997
ChEMBL CHEMBL1162488
ChEBI CHEBI:30851