PPI

PROPANOIC ACID

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count11
Chiral Atom Count0
Bond Count10
Aromatic Bond Count0
2D diagram of PPI
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Chemical Component Summary

NamePROPANOIC ACID
Systematic Name (OpenEye OEToolkits)propanoic acid
FormulaC3 H6 O2
Molecular Weight74.079
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)CC
SMILESCACTVS3.341CCC(O)=O
SMILESOpenEye OEToolkits1.5.0CCC(=O)O
Canonical SMILESCACTVS3.341 CCC(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCC(=O)O
InChIInChI1.03 InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKeyInChI1.03 XBDQKXXYIPTUBI-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03766 
NamePropanoic acid
Groups
  • approved
  • vet_approved
DescriptionSodium propionate is the sodium salt of propionic acid that exists as colorless, transparent crystals or a granular crystalline powder. It is considered generally recognized as safe (GRAS) food ingredient by FDA, where it acts as an antimicrobial agent for food preservation and flavoring agent. Its use as a food additive is also approved in Europe. Sodium propionate is is prepared by neutralizing propionic acid with sodium hydroxide. Sodium propionate was previously approved in Canada as an active ingredient in Amino-Cerv (used to treat inflammation or injury of the cervix).
Synonyms
  • Propionic acid
  • Propanoic acid
  • Sodium propionate
Brand NamesAmino-cerv
IndicationPropanoic acid and various direct sodium or calcium salt formulations of the acid are currently most commonly approved and indicated by organizations like the FDA and EMA for use as an antibacterial food additive preservative in animal feed and food for human consumption [L2715, L2716]. Similarly, although the use of propanoic acid or any of its direct sodium or calcium salt formulations as excipient ingredients in pharmaceuticals is not necessarily a major role for the compound today, sodium propionate was used in some vaginal cream preparations indicated for cervicitis, cervical tears, and/or postcauterization, postcryosurgery, and postconization of the cervix [T193]. In such products, the sodium propionate was primarily used to elicit a preservative, bacteriostatic [L2710, F50] effect while other active ingredients combined in the formulation like urea, benzalkonium chloride, inositol, and methionine and cystine amino acids facilitated debridement, enhanced medication spread, epithelialization promotion, and wound healing, respectively [L2710, A32973]. Nevertheless, a great variety of propionic acid derivatives exist as separate pharmaceuticals, each with their own unique therapeutic categories, pharmacodynamics, and pharmacokinetics.
Categories
  • Acids, Acyclic
  • Anti-Infective Agents
  • Fatty Acids
  • Fatty Acids, Volatile
  • Lipids
ATC-CodeS01AX10
CAS number79-09-4

Drug Targets

NameTarget SequencePharmacological ActionActions
Alanine racemaseMNDFHRDTWAEVDLDAIYDNVENLRRLLPDDTHIMAVVKANAYGHGDVQV...unknown
GephyrinMATEGMILTNHDHQIRVGVLTVSDSCFRNLAEDRSGINLKDLVQDPSLLG...unknown
2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolaseMANLEIGKSILAAGVLTNYHDVGEGQPVILIHGSGPGVSAYANWRLTIPA...unknown
Histone deacetylaseMAQTQGTRRKVCYYYDGDVGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRK...unknowninhibitor
Fatty acid-binding protein, adipocyteMCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVI...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

Related Resource References

Resource NameReference
PubChem 1032
ChEMBL CHEMBL14021
ChEBI CHEBI:30768
CCDC/CSD VOJFEF, UYIPUP, UYIQIE, QEQSIR, BOPBIS, ZUQJUT, FIVJAY, XICWUD, VEVLIR, NARVUX, EQOPOP, KIJLOG, VEVLIR01, SAGQEW, YEMVIW, BIJVUL, MORMIP01, LUNYIC, PRONAC02, HANBOO, BEGZAP, YINJOU
COD 7103922