| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:27:45 UTC |
|---|
| Update date | 2017-01-19 02:36:11 UTC |
|---|
| FoodComEx ID | PC000051 |
|---|
| FoodDB Record | FDB022293 |
|---|
| Chemical Information |
|---|
| Name | Tetradecanedioic acid |
|---|
| Description | Tetradecanedioic acid is a C14 dicarboxylic acid. [HMDB] |
|---|
| CAS Number | 821-38-5 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| 1,12-Dodecanedicarboxylate | hmdb | | 1,12-Dodecanedicarboxylic acid | hmdb | | 1,14-Tetradecanedioate | hmdb | | 1,14-Tetradecanedioic acid | hmdb | | Dodecamethylenedicarboxylate | hmdb | | Dodecamethylenedicarboxylic acid | hmdb | | NSC 9504 | ChEBI | | Tetradecane-1,14-dioate | hmdb | | Tetradecane-1,14-dioic acid | hmdb | | Tetradecanedicarboxylate | hmdb | | Tetradecanedicarboxylic acid | hmdb | | Tetradecanedioate | hmdb | | Tetradecanedioic acid | hmdb |
|
|---|
| Chemical Formula | C14H26O4 |
|---|
| IUPAC name | tetradecanedioic acid |
|---|
| InChI Identifier | InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18) |
|---|
| InChI Key | HQHCYKULIHKCEB-UHFFFAOYSA-N |
|---|
| Isomeric SMILES | OC(=O)CCCCCCCCCCCCC(O)=O |
|---|
| Average Molecular Weight | 258.3538 |
|---|
| Monoisotopic Molecular Weight | 258.18310932 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Lipids and lipid-like molecules |
|---|
| Class | Fatty Acyls |
|---|
| Sub Class | Fatty acids and conjugates |
|---|
| Direct Parent | Long-chain fatty acids |
|---|
| Alternative Parents | |
|---|
| Substituents | - Long-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 Framework | Aliphatic acyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | Production upon request, up to 1 g |
|---|
| Delivery Time | Not Available |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | -80°C |
|---|
| Stability | Not Available |
|---|
| Purity | Not Available |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
|
| Commercial Vendors |
|---|
| AKSci | J92811 |
|---|
| AKSci | M945 |
|---|
| Human Metabolome Library | HMDB0000872 |
|---|
| MetaSci | HMDB0000872 |
|---|
