(R)-beta-hydroxypalmitic acid
PubChem CID: 15569776
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| Compound Synonyms | (R)-beta-hydroxypalmitic acid, (R)-3-hydroxypalmitic acid, (r)-3-hydroxyhexadecanoic acid, (3R)-3-hydroxyhexadecanoic acid, 3R-hydroxypalmitic acid, 3R-hydroxyhexadecanoic acid, CHEBI:38247, 3(R)-HYDROXYHEXADECANOIC ACID, SCHEMBL1358867, CHEMBL2207728, (R)-3-Hydroxy-hexadecanoic acid, DTXSID401344857, LMFA01050366, HY-166046, Q27117428 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-hexadecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-hexadecanoic acid is converted from 3-Oxo-tetradecanoic acid via fatty-acid Synthase and 3-oxoacyl- [acyl-carrier-protein] reductase. (EC: 2.3.1.85 and EC: 2.3.1.41) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P49327, Q9NWU1 |
| Iupac Name | (3R)-3-hydroxyhexadecanoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 5.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C16H32O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBWALJHXHCJYTE-OAHLLOKOSA-N |
| Fcsp3 | 0.9375 |
| Logs | -4.614 |
| Rotatable Bond Count | 14.0 |
| State | Solid |
| Logd | 2.594 |
| Synonyms | (R)-b-Hydroxypalmitate, (R)-b-Hydroxypalmitic acid, (R)-beta-Hydroxypalmitate, (R)-beta-Hydroxypalmitic acid, (R)-β-hydroxypalmitate, (R)-β-hydroxypalmitic acid |
| Substituent Name | Long-chain fatty acid, Hydroxy fatty acid, Beta-hydroxy acid, Hydroxy acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | (R)-beta-hydroxypalmitic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 272.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 272.235 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 272.42 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.240159799999998 |
| Inchi | InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(17)14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m1/s1 |
| Smiles | CCCCCCCCCCCCC[C@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all