16-Hydroxypalmitic acid
PubChem CID: 10466
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| Compound Synonyms | 16-Hydroxyhexadecanoic acid, 506-13-8, Juniperic acid, 16-HYDROXYPALMITIC ACID, Hexadecanoic acid, 16-hydroxy-, Palmitic acid, 16-hydroxy-, omega-Hydroxypalmitic acid, .omega.-Hydroxypalmitic acid, 16-hydroxy-hexadecanoic acid, Juniperinic acid, 7IPP3U0F3I, MFCD00002750, EINECS 208-028-7, NSC 159292, NSC-159292, 16-hydroxy hexadecanoic acid, DTXSID6060133, 16-HydroxyhexadecanoicAcid, UNII-7IPP3U0F3I, hydroxy hexadecanoate, w-hydroxy hexadecanoate, 16-Hydoxy hexadecanoate, hydroxy hexadecanoic acid, omega hydroxy hexadecanoate, omega-hydroxy hexadecanoate, bmse000700, w-hydroxy hexadecanoic acid, 16-Hydoxy hexadecanoic acid, SCHEMBL153053, omega hydroxy hexadecanoic acid, omega-hydroxy hexadecanoic acid, CHEMBL4281719, DTXCID8040858, CHEBI:55328, 16-Hydroxyhexadecanoic acid, 98%, LMFA01050051, NSC159292, AKOS005068207, FH73274, HY-W068212, omega hydroxy hexadecanoate (n-C16:0), AS-47314, SY057066, DB-051802, 16-OH 16:0, CS-0068707, H0675, NS00015517, C18218, F13220, Q27124231, 16Y |
|---|---|
| Ghose Rule | True |
| 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 | OCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Description | 16-hydroxy-hexadecanoic acid, also known as 16-hydroxypalmitic acid or 16-oh 16:0, 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, 16-hydroxy-hexadecanoic acid is considered to be a fatty acid lipid molecule. 16-hydroxy-hexadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 16-hydroxy-hexadecanoic acid can be synthesized from hexadecanoic acid. 16-hydroxy-hexadecanoic acid is also a parent compound for other transformation products, including but not limited to, (3R)-3,16-dihydroxypalmitic acid, oscr#28, and 16-hydroxyhexadecanoyl-CoA. 16-hydroxy-hexadecanoic acid can be found in a number of food items such as other cereal product, hyacinth bean, red rice, and elliott's blueberry, which makes 16-hydroxy-hexadecanoic acid a potential biomarker for the consumption of these food products. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 192.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-hydroxyhexadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32O3 |
| Inchi Key | UGAGPNKCDRTDHP-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 15.0 |
| State | Solid |
| Synonyms | 16-Hydroxy-hexadecanoic acid, 16-Hydroxypalmitic acid, 16-OH 16:0, Juniperic acid, Omega-hydroxypalmitic acid, 16-Hydroxy-hexadecanoate, 16-Hydroxypalmitate, Juniperate, Omega-hydroxypalmitate, 16-Hydroxyhexadecanoate, 16-Hydroxy hexadecanoate, FA(16:0(16-OH)), Lanopalmitic acid, Omega-hydroxyhexadecanoic acid, Ω-hydroxyhexadecanoic acid, Ω-hydroxypalmitic acid, 16-Hydroxyhexadecanoic acid, 16-hydroxy-hexadecanoic-acid, 16-hydroxyhexadecanoic acid, hexadecanoic acid, 16-hydroxy |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | 16-Hydroxypalmitic acid |
| Kingdom | Organic compounds |
| Exact Mass | 272.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.42 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19) |
| Smiles | C(CCCCCCCC(=O)O)CCCCCCCO |
| 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 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Napus (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16659124 - 2. Outgoing r'ship
FOUND_INto/from Hesperethusa Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138 - 3. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Naringi Crenulata (Plant) Rel Props:Reference:ISBN:9788185042138 - 5. Outgoing r'ship
FOUND_INto/from Pinus Roxburghii (Plant) Rel Props:Reference:ISBN:9788172362461 - 6. Outgoing r'ship
FOUND_INto/from Prunus Avium (Plant) Rel Props:Source_db:fooddb_chem_all - 7. Outgoing r'ship
FOUND_INto/from Pseudotsuga Menziesii (Plant) Rel Props:Reference:ISBN:9788172362461 - 8. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all