28-Hydroxyoctacosanoic acid
PubChem CID: 5312786
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| Compound Synonyms | 28-hydroxyoctacosanoic acid, 28-hydroxy-octacosanoic acid, 52900-17-1, omega-hydroxyoctacosanoic acid, 28-hydroxymontanic acid, omega-hydroxymontanic acid, SCHEMBL1950996, CHEBI:84863, DTXSID80415597, LMFA01050220, Q27158132 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Fatty acyls |
| Description | 28-hydroxyoctacosanoic acid, also known as omega-hydroxymontanic acid or 28-hydroxymontanate, 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, 28-hydroxyoctacosanoic acid is considered to be a fatty acid lipid molecule. 28-hydroxyoctacosanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 28-hydroxyoctacosanoic acid can be found in potato, which makes 28-hydroxyoctacosanoic acid a potential biomarker for the consumption of this food product. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 343.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 28-hydroxyoctacosanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.7 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H56O3 |
| Inchi Key | DQDKWDYKDPDWMY-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 27.0 |
| Synonyms | 28-hydroxy-octacosanoic-acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 28-Hydroxyoctacosanoic acid |
| Exact Mass | 440.423 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.423 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 440.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C28H56O3/c29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28(30)31/h29H,1-27H2,(H,30,31) |
| Smiles | C(CCCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCCO |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all