Record Information |
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Version | 1.0 |
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Creation date | 2015-10-09 22:27:40 UTC |
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Update date | 2017-01-19 02:36:11 UTC |
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FoodComEx ID | PC000044 |
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FoodDB Record | FDB003340 |
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Chemical Information |
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Name | Octanedioic acid |
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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). |
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CAS Number | 505-48-6 |
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Structure | |
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Synonyms | Synonym | Source |
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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 |
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Chemical Formula | C8H14O4 |
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IUPAC name | octanedioic acid |
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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) |
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InChI Key | TYFQFVWCELRYAO-UHFFFAOYSA-N |
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Isomeric SMILES | OC(=O)CCCCCCC(O)=O |
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Average Molecular Weight | 174.1944 |
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Monoisotopic Molecular Weight | 174.089208936 |
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Chemical Taxonomy |
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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. |
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Kingdom | Organic compounds |
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Super Class | Lipids and lipid-like molecules |
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Class | Fatty Acyls |
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Sub Class | Fatty acids and conjugates |
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Direct Parent | Medium-chain fatty acids |
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Alternative Parents | |
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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
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Molecular Framework | Aliphatic acyclic compounds |
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External Descriptors | |
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Physico-Chemical Properties - Experimental |
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Property | Value | Reference |
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Experimental logP | Not Available | |
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Experimental Water Solubility | 11.9 mg/mL at 25 oC | YALKOWSKY,SH & DANNENFELSER,RM (1992) |
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Melting Point | Mp 144° | DFC |
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Foods of Origin |
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Food | Content Range | Average | Reference |
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Food | | | Reference |
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Production Data |
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Production Method | commercial |
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Production Method Reference | Not Available |
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Production Method Reference File | Not Available |
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Quantity Available | Production upon request, up to 2 g |
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Delivery Time | Not Available |
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Storage Form | solid |
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Storage Conditions | -80°C |
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Stability | Not Available |
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Purity | Not Available |
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Spectra |
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Spectral Data Upon Request | Not Available |
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Provider Information |
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Commercial Vendors |
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AKSci | C494 |
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AKSci | J40011 |
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AKSci | J92529 |
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AKSci | HMDB0000893 |
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MetaSci | HMDB0000893 |
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Toronto Research Chemicals | S688670 |
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