Record Information
Version1.0
Creation date2010-04-08 22:04:59 UTC
Update date2019-11-26 02:56:31 UTC
Primary IDFDB001477
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameGlutaric acid
DescriptionGlutaric acid, also known as 1,5-pentanedioate or pentanedioic acid, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. Glutaric acid exists in all living organisms, ranging from bacteria to humans. Glutaric acid is an odorless tasting compound. Glutaric acid has been detected, but not quantified in, several different foods, such as eddoes (Colocasia antiquorum), pitangas (Eugenia uniflora), narrowleaf cattails (Typha angustifolia), chicory leaves (Cichorium intybus var. foliosum), and wax apples (Eugenia javanica). This could make glutaric acid a potential biomarker for the consumption of these foods. Glutaric acid, with regard to humans, has been found to be associated with several diseases such as eosinophilic esophagitis and irritable bowel syndrome; glutaric acid has also been linked to several inborn metabolic disorders including glutaric aciduria I, 3-hydroxy-3-methylglutaryl-coa lyase deficiency, and short chain acyl-coa dehydrogenase deficiency. Based on a literature review a significant number of articles have been published on Glutaric acid.
CAS Number110-94-1
Structure
Thumb
Synonyms
SynonymSource
1,3-Propanedicarboxylic acidChEBI
1,5-Pentanedioic acidChEBI
GlutarsaeureChEBI
Pentanedioic acidChEBI
1,3-PropanedicarboxylateGenerator
1,5-PentanedioateGenerator
PentanedioateGenerator
GlutarateGenerator
PentandioateHMDB
Pentandioic acidHMDB
Glutaric acidmanual
Propane-1,3-dicarboxylic acidmanual
Predicted PropertiesNot Available
Chemical FormulaC5H8O4
IUPAC name
InChI IdentifierInChI=1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChI KeyJFCQEDHGNNZCLN-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCCC(O)=O
Average Molecular Weight132.1146
Monoisotopic Molecular Weight132.042258744
Classification
Description Belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassDicarboxylic acids and derivatives
Direct ParentDicarboxylic acids and derivatives
Alternative Parents
Substituents
  • Fatty acid
  • Dicarboxylic 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
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Indirect biological role:

Industrial application:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNeedles or prisms (C6H6 or CHCl3)CCD
Mass CompositionC 45.46%; H 6.10%; O 48.44%CCD
Melting PointMp 97 - 98°CCD
Boiling PointBp 302 - 304 ° Bp 20 200 °CCD
Experimental Water SolubilitySol. H2O, EtOH, Et2O, C6H6, CHCl3CCD
Experimental logP-0.29HANSCH,C ET AL. (1995)
Experimental pKap Ka14.35 ( 25° ) p Ka25.4 ( 25° )CCD
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID723
ChEMBL IDCHEMBL1162495
KEGG Compound IDC00489
Pubchem Compound ID743
Pubchem Substance IDNot Available
ChEBI ID17859
Phenol-Explorer IDNot Available
DrugBank IDDB03553
HMDB IDHMDB00661
CRC / DFC (Dictionary of Food Compounds) IDHKS12-F:HKS12-F
EAFUS IDNot Available
Dr. Duke IDGLUTARIC-ACID
BIGG IDNot Available
KNApSAcK IDC00001184
HET IDGUA
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDrw1248291
SuperScent IDNot Available
Wikipedia IDGlutaric acid
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
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).
— Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.