FComEx: Octanedioic acid (PC000044)

Record Information

Version

1.0

Creation date

2015-10-09 22:27:40 UTC

Update date

2017-01-19 02:36:11 UTC

FoodComEx ID

PC000044

FoodDB Record

FDB003340

Chemical Information

Name

Octanedioic acid

Description

Isolated 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 Number

505-48-6

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Synonym	Source
1, 8-Octanedioic acid	biospider
1,6-Dicarboxyhexane	biospider
1,6-Hexanedicarboxylate	biospider
1,6-Hexanedicarboxylic acid	db_source
1,8-Octanedioate	biospider
1,8-Octanedioic acid	biospider
Carboxylic acids, di-, C4-11	biospider
Cork acid	biospider
Hexamethylenedicarboxylate	biospider
Hexamethylenedicarboxylic acid	biospider
Korksaeure	ChEBI
Octane-1,8-dioate	biospider
Octane-1,8-dioic acid	biospider
Octanedioate	biospider
Octanedioc acid	biospider
Octanedioic acid suberic acid	biospider
Oktandisaeure	ChEBI
Suberate	biospider
Suberic acid	biospider
Suberic acid, 8CI	db_source
suberic acid, cadmium (1:1) salt	biospider
Suberic acid, dipotassium salt	biospider
Suberic acid, disodium salt	biospider
suberic acid, manganese (+2) (1:1) salt	biospider
Suberic acid, monosodium salt	biospider
Suberinsaeure	ChEBI

Chemical Formula

C8H14O4

IUPAC name

octanedioic acid

InChI Identifier

InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12)

InChI Key

TYFQFVWCELRYAO-UHFFFAOYSA-N

Isomeric SMILES

OC(=O)CCCCCCC(O)=O

Average Molecular Weight

174.1944

Monoisotopic Molecular Weight

174.089208936

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.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents