Record Information
Version1.0
Creation date2010-04-08 22:08:00 UTC
Update date2024-11-29 22:26:58 UTC
Primary IDFDB008285
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePropanoic acid
DescriptionPropionic acid, also known as acide propanoique or propionate, belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH. Propionic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Propionic acid exists in all living species, ranging from bacteria to humans. Propionic acid is a pungent, rancid, and soy tasting compound. Propionic acid has been detected, but not quantified in, several different foods, such as teffs, wild carrots, sweet basils, chives, and horseradish tree. This could make propionic acid a potential biomarker for the consumption of these foods. Propionic acid is a potentially toxic compound.
CAS Number79-09-4
Structure
Thumb
Synonyms
Predicted PropertiesNot Available
Chemical FormulaC3H6O2
IUPAC name
InChI IdentifierInChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChI KeyXBDQKXXYIPTUBI-UHFFFAOYSA-N
Isomeric SMILESCCC(O)=O
Average Molecular Weight74.0785
Monoisotopic Molecular Weight74.036779436
Classification
Description Belongs to the class of organic compounds known as carboxylic acids. Carboxylic acids are compounds containing a carboxylic acid group with the formula -C(=O)OH.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acids
Direct ParentCarboxylic acids
Alternative Parents
Substituents
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID1005
ChEMBL IDCHEMBL14021
KEGG Compound IDC00163
Pubchem Compound ID1032
Pubchem Substance IDNot Available
ChEBI ID30768
Phenol-Explorer IDNot Available
DrugBank IDDB03766
HMDB IDHMDB00237
CRC / DFC (Dictionary of Food Compounds) IDDFP47-D:DFP47-D
EAFUS ID3182
Dr. Duke IDPROPIONIC-ACID
BIGG ID34098
KNApSAcK IDNot Available
HET IDPPI
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet ID79-09-4
GoodScent IDrw1001661
SuperScent IDNot Available
Wikipedia IDPropionic acid
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Green bell pepperExpected but not quantifiedNot AvailableDUKE
Orange bell pepperExpected but not quantifiedNot AvailableDUKE
Red bell pepperExpected but not quantifiedNot AvailableDUKE
Red raspberryExpected but not quantifiedNot AvailableDUKE
Yellow bell pepperExpected but not quantifiedNot AvailableDUKE
BarleyExpected but not quantifiedNot AvailableInferred by geno/metabolomic analysis
BroccoliExpected but not quantifiedNot AvailableInferred by geno/metabolomic analysis
CarrotExpected but not quantifiedNot AvailableInferred by geno/metabolomic analysis
Common peaExpected but not quantifiedNot AvailableInferred by geno/metabolomic analysis
CucumberExpected but not quantifiedNot AvailableInferred by geno/metabolomic analysis
Showing 1 to 10 of 37 entries
Biological Effects and Interactions
Health Effects / Bioactivities
Enzymes
Pathways
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).