2-Hydroxytetracosanoic acid
PubChem CID: 102430
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| Compound Synonyms | 2-Hydroxytetracosanoic acid, 544-57-0, Cerebronic acid, Phrenosinic acid, DL-Cerebronic acid, Phrenosic acid, 2-hydroxylignoceric acid, 2-hydroxy Lignoceric Acid, 2-hydroxy-tetracosanoic acid, 66QN3B074E, Cerebronsaeure, acide cerebronique, a-hydroxylignoceric acid, 2-Hydroxy-tetracosansaeure, 2-hydroxytetraicosanoic acid, 2-hydroxytetraeicosanoic acid, SCHEMBL338278, UNII-66QN3B074E, Tetracosanoic acid, 2-hydroxy-, CHEBI:61302, DTXSID40969526, MSUOLNSQHLHDAS-UHFFFAOYSA-N, HY-N7811, LMFA01050080, .ALPHA.-HYDROXYLIGNOCERIC ACID, AKOS027379899, .ALPHA.-HYDROXYTETRACOSANOIC ACID, PD060508, DB-052577, C17873, Q11751627 |
|---|---|
| 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, Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCC=O)O))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Fatty acyls |
| Description | Constituent of various glycosphingolipids of wheat, corn and other plant subspecies Cerebronic acid is found in peanut and cereals and cereal products. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 304.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hydroxytetracosanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 10.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H48O3 |
| Inchi Key | MSUOLNSQHLHDAS-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 22.0 |
| State | Solid |
| Synonyms | a-Hydroxylignoceric acid, Cerebronic acid, D-cerebronic acid, Phrenosic acid, Phrenosinic acid, 2-Hydroxy-tetracosansaeure, 2-Hydroxylignoceric acid, 2-Hydroxytetraeicosanoic acid, 2-Hydroxytetraicosanoic acid, Acide cerebronique, Cerebronsaeure, 2-Hydroxylignocerate, 2-Hydroxytetraeicosanoate, 2-Hydroxytetraicosanoate, Cerebronate, D-Cerebronic acid, DL-Cerebronate, 2-hydroxytetracosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 2-Hydroxytetracosanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 384.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 384.36 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 384.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Very long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Stellaria Media (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279