16-Hydroxyhexadecanoate
PubChem CID: 7058075
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| Compound Synonyms | 16-hydroxyhexadecanoate, 16-HYDROXYPALMITATE, CHEBI:55329, juniperate, omega-hydroxy-palmitate, 16-hydroxy-hexadecanoate, omega-hydroxy-hexadecanoate, Q27124232 |
|---|---|
| Topological Polar Surface Area | 60.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Description | 16-Hydroxy hexadecanoic acid is a hydroxylated fatty acid where the terminal (omega) carbon has been hydroxylated. In animal tissues, a family of enzymes termed cytochromes P450s are involved in fatty acid oxidation, hydroxylating with high specificity at the energetically unfavorable terminal (omega) or omega-1 carbons. Hydroxy fatty acids primarily come from consumption of plant products (vegetables or fruits) or from cows milk. Omega hydroxy fatty acids are found in the structure of suberin, a lipid polyester present in plant cell walls, and of cutin, a lipid polyester which is a component of the plant cuticle. These apoplastic structures are important plant-environment interfaces which act as barriers limiting water and nutrient loss and protecting plants from radiation and pathogens. [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 187.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-hydroxyhexadecanoate |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 6.2 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C16H31O3- |
| Prediction Swissadme | 0.0 |
| Inchi Key | UGAGPNKCDRTDHP-UHFFFAOYSA-M |
| Fcsp3 | 0.9375 |
| Logs | -3.507 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 2.355 |
| Synonyms | &omega, -hydroxy-hexadecanoate, &omega, -hydroxy-hexadecanoic acid, &omega, -hydroxy-palmitate, &omega, -hydroxy-palmitic acid, 16-Hydoxy hexadecanoate, 16-Hydoxy hexadecanoic acid, 16-Hydroxy-hexadecanoate, 16-Hydroxy-hexadecanoic acid, Hydoxy hexadecanoate, Hydoxy hexadecanoic acid, Hydroxy hexadecanoate, Hydroxy hexadecanoic acid, Juniperic acid, omega hydroxy hexadecanoate, Omega hydroxy hexadecanoate (N-C16:0), omega hydroxy hexadecanoic acid, omega-hydroxy hexadecanoate, omega-hydroxy hexadecanoic acid, w-hydroxy hexadecanoate, w-hydroxy hexadecanoic acid |
| Substituent Name | Long-chain fatty acid, Hydroxy fatty acid, Straight chain fatty acid, Carboxylic acid salt, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Organic anion, Aliphatic acyclic compound |
| Compound Name | 16-Hydroxyhexadecanoate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.227 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 271.227 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 271.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.8105101999999995 |
| 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)/p-1 |
| Smiles | C(CCCCCCCC(=O)[O-])CCCCCCCO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Platycladus Orientalis (Plant) Rel Props:Source_db:cmaup_ingredients