Record Information
Version1.0
Creation date2015-10-09 22:27:40 UTC
Update date2017-01-19 02:36:11 UTC
FoodComEx IDPC000044
FoodDB RecordFDB003340
Chemical Information
NameOctanedioic acid
DescriptionIsolated from the roots of Phaseolus vulgaris (kidney bean) Suberic acid, also octanedioic acid, is a dicarboxylic acid, with formula C6H12(COOH)2. It is present in the urine of patients with Fatty Acid Oxidation Disorders (PMID 10404733); ; A metabolic breakdown product derived from oleic acid. Elevated levels of this unstaruated dicarboxylic acid are found in individuals with dicarboxylic acid and medium-chain acyl-CoA dehydrogenase deficiency (MCAD).
CAS Number505-48-6
Structure
Thumb
Synonyms
SynonymSource
1, 8-Octanedioic acidbiospider
1,6-Dicarboxyhexanebiospider
1,6-Hexanedicarboxylatebiospider
1,6-Hexanedicarboxylic aciddb_source
1,8-Octanedioatebiospider
1,8-Octanedioic acidbiospider
Carboxylic acids, di-, C4-11biospider
Cork acidbiospider
Hexamethylenedicarboxylatebiospider
Hexamethylenedicarboxylic acidbiospider
KorksaeureChEBI
Octane-1,8-dioatebiospider
Octane-1,8-dioic acidbiospider
Octanedioatebiospider
Octanedioc acidbiospider
Octanedioic acid suberic acidbiospider
OktandisaeureChEBI
Suberatebiospider
Suberic acidbiospider
Suberic acid, 8CIdb_source
suberic acid, cadmium (1:1) saltbiospider
Suberic acid, dipotassium saltbiospider
Suberic acid, disodium saltbiospider
suberic acid, manganese (+2) (1:1) saltbiospider
Suberic acid, monosodium saltbiospider
SuberinsaeureChEBI
Chemical FormulaC8H14O4
IUPAC nameoctanedioic acid
InChI IdentifierInChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)
InChI KeyTYFQFVWCELRYAO-UHFFFAOYSA-N
Isomeric SMILESOC(=O)CCCCCCC(O)=O
Average Molecular Weight174.1944
Monoisotopic Molecular Weight174.089208936
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentMedium-chain fatty acids
Alternative Parents
Substituents
  • Medium-chain fatty acid
  • Dicarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility11.9 mg/mL at 25 oCYALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting PointMp 144°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 2 g
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci C494
AKSci J40011
AKSci J92529
AKSci HMDB0000893
MetaSci HMDB0000893
Toronto Research Chemicals S688670