Record Information |
---|
Version | 1.0 |
---|
Created at | 2005-11-16 15:48:42 UTC |
---|
Updated at | 2021-08-15 04:56:48 UTC |
---|
NP-MRD ID | NP0000048 |
---|
Secondary Accession Numbers | None |
---|
Natural Product Identification |
---|
Common Name | Tetradecanedioic acid |
---|
Description | Tetradecanedioic acid, also known as 1,14-tetradecanedioate or NSC 9504, 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. Tetradecanedioic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. |
---|
Structure | 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) |
---|
Synonyms | Value | Source |
---|
1,12-Dodecanedicarboxylic acid | ChEBI | 1,14-Tetradecanedioic acid | ChEBI | Dodecamethylenedicarboxylic acid | ChEBI | NSC 9504 | ChEBI | Tetradecane-1,14-dioic acid | ChEBI | 1,12-Dodecanedicarboxylate | Generator | 1,14-Tetradecanedioate | Generator | Dodecamethylenedicarboxylate | Generator | Tetradecane-1,14-dioate | Generator | Tetradecanedioate | Generator | Tetradecanedicarboxylate | HMDB | Tetradecanedicarboxylic acid | HMDB |
|
---|
Chemical Formula | C14H26O4 |
---|
Average Mass | 258.3538 Da |
---|
Monoisotopic Mass | 258.18311 Da |
---|
IUPAC Name | tetradecanedioic acid |
---|
Traditional Name | tetradecanedioic acid |
---|
CAS Registry Number | 821-38-5 |
---|
SMILES | OC(=O)CCCCCCCCCCCCC(O)=O |
---|
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 |
---|
Experimental Spectra |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, CD3OD, experimental) | Wishart Lab | Wishart Lab | David Wishart | 2021-06-20 | View Spectrum |
| Predicted Spectra |
---|
|
| Not Available | Chemical Shift Submissions |
---|
|
| Spectrum Type | Description | Depositor ID | Depositor Organization | Depositor | Deposition Date | View |
---|
1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, simulated) | Varshavi.d26 | | | 2021-10-07 | View Spectrum | 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, simulated) | Varshavi.d26 | | | 2021-07-20 | View Spectrum |
| Species |
---|
Species of Origin | |
---|
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 | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Properties | |
---|
Predicted Properties | |
---|
General References | - Ohdoi C, Nyhan WL, Kuhara T: Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Jul 15;792(1):123-30. [PubMed:12829005 ]
- Ziegler I, Fink M, Wilmanns W: Biopterin level in peripheral blood cells as a marker for hemopoietic cell proliferation during leukemia and polycythemia vera. Blut. 1982 Apr;44(4):231-40. [PubMed:6952953 ]
- Tonsgard JH, Mendelson SA, Meredith SC: Binding of straight-chain saturated dicarboxylic acids to albumin. J Clin Invest. 1988 Nov;82(5):1567-73. doi: 10.1172/JCI113767. [PubMed:3183053 ]
- Samartsev VN, Semenova AA, Dubinin MV: A Comparative Study of the Action of Protonophore Uncouplers and Decoupling Agents as Inducers of Free Respiration in Mitochondria in States 3 and 4: Theoretical and Experimental Approaches. Cell Biochem Biophys. 2020 Jun;78(2):203-216. doi: 10.1007/s12013-020-00914-5. Epub 2020 May 5. [PubMed:32367259 ]
- Chae TU, Ahn JH, Ko YS, Kim JW, Lee JA, Lee EH, Lee SY: Metabolic engineering for the production of dicarboxylic acids and diamines. Metab Eng. 2020 Mar;58:2-16. doi: 10.1016/j.ymben.2019.03.005. Epub 2019 Mar 21. [PubMed:30905694 ]
|
---|