Tetracosanedioic acid
PubChem CID: 2724554
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| Compound Synonyms | Tetracosanedioic acid, 2450-31-9, DTXSID90369158, tetracosanedioate, Tetracosanedioicacid, LMFA01170039, SCHEMBL321180, DTXCID00320194, CHEBI:165388, QXGVRGZJILVMDF-UHFFFAOYSA-N, BS-51975, CS-0528825, E83822 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Description | Tetracosanedioic acid, also known as tetracosanedioate, is a member of the class of compounds known as very long-chain fatty acids. Very long-chain fatty acids are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Thus, tetracosanedioic acid is considered to be a fatty acid lipid molecule. Tetracosanedioic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Tetracosanedioic acid can be found in potato, which makes tetracosanedioic acid a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetracosanedioic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 9.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C24H46O4 |
| Inchi Key | QXGVRGZJILVMDF-UHFFFAOYSA-N |
| Rotatable Bond Count | 23.0 |
| Synonyms | Tetracosanedioate |
| Compound Name | Tetracosanedioic acid |
| Kingdom | Organic compounds |
| Exact Mass | 398.34 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 398.34 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 398.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28) |
| Smiles | C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Very long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all