Tetracosenoic acid
PubChem CID: 6440260
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| Compound Synonyms | Tetracosenoic acid, (E)-tetracos-2-enoic acid, 26444-06-4, (E)-2-Tetracosenoic acid, (2E)-tetracos-2-enoic acid, Tetracos-2E-enoic acid, (2E)-2-Tetracosenoic acid, SCHEMBL258278, CHEMBL4292310, ULNRTPCFRBIMKL-GHVJWSGMSA-N, DTXSID001312501, LMFA01030920, 33228-63-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCC/C=C/C=O)O |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Fatty acyls |
| Description | Isolated from the leaf wax of durum wheat. (E)-2-Tetracosenoic acid is found in cereals and cereal products. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 309.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-tetracos-2-enoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H46O2 |
| Inchi Key | ULNRTPCFRBIMKL-GHVJWSGMSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 21.0 |
| State | Solid |
| Synonyms | (e)-2-Tetracosenoate, Tetracosenoic acid, Tetracosenoic acid, (Z)-isomer, Neolitsine, (2E)-Tetracos-2-enoate, tetracosenoic acid |
| Substituent Name | Very long-chain fatty acid, Unsaturated fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Esol Class | Poorly soluble |
| Functional Groups | C/C=C/C(=O)O |
| Compound Name | Tetracosenoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 366.35 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.35 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 366.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+ |
| Smiles | CCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Very long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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