10,16-Dihydroxyhexadecanoic acid
PubChem CID: 441449
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| Compound Synonyms | 10,16-Dihydroxyhexadecanoic acid, 3233-90-7, Hexadecanoic acid, 10,16-dihydroxy-, 10,16-dihydroxy-palmitic acid, 10,16-dihydroxy-hexadecanoic acid, (R)-10,16-Dihydroxyhexadecanoic acid, CHEBI:692, SCHEMBL2459399, DTXSID10954121, LMFA01050341, C08285, Q27105328 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCCCCCCCCCCCCCCC=O)O))))))))))O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Fatty acyls |
| Description | 10,16-dihydroxyhexadecanoic acid, also known as 10,16-dhha, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 10,16-dihydroxyhexadecanoic acid is considered to be a fatty acid lipid molecule. 10,16-dihydroxyhexadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 10,16-dihydroxyhexadecanoic acid can be found in garden tomato (variety) and gooseberry, which makes 10,16-dihydroxyhexadecanoic acid a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 219.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10,16-dihydroxyhexadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 3.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H32O4 |
| Inchi Key | VJZBXAQGWLMYMS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 15.0 |
| State | Solid |
| Synonyms | 10,16-Dihydroxy-hexadecanoate, 10,16-Dihydroxypalmitic acid, (S)-10,16-Dihydroxyhexadecanoate, 10,16-DHHA, (R)-10,16-Dihydroxyhexadecanoic acid, 10,16-Dihydroxy-palmitate, (S)-10,16-Dihydroxyhexadecanoic acid, 10,16-Dihydroxyhexadecanoic acid, 10,16-Dihydroxyhexadecanoate, 10,16- dihydroxyhexadecanoic acid, 10,16-dihydroxy hexadecanoic acids, 10,16-dihydroxy-hexadecanoic-acid, 10,16-dihydroxyhexadecanoic acid, hexadecanoic acid, 10,16-dihydroxy |
| Esol Class | Soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 10,16-Dihydroxyhexadecanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 288.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.23 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 288.42 |
| Gi Absorption | True |
| 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/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,20) |
| Smiles | C(CCCCC(=O)O)CCCC(CCCCCCO)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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