(R)-3-hydroxytetradecanoic acid
PubChem CID: 5288266
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| Compound Synonyms | (R)-3-Hydroxytetradecanoic acid, 28715-21-1, (R)-3-Hydroxymyristic acid, (r)-3-hydroxy myristic acid, (3R)-3-Hydroxytetradecanoic acid, (R)-(-)-3-Hydroxytetradecanoic acid, Tetradecanoic acid, 3-hydroxy-, (3R)-, D-(-)-beta-Hydroxymyristic acid, CHEBI:42539, (3R)-hydroxymyristic acid, D-3-Hydroxyte, (-)-3-hydroxymyristic acid, 3-Hydroxymyristic acid, (-)-, 3-Hydroxymyristic acid, (3R)-, (R)-3-Hydroxy-tetradecanoic acid, R7C245Y68X, 3R-hydroxy-tetradecanoic acid, CHEMBL1232858, DTXSID001305047, (3R)-3-hydroxy-tetradecanoic acid, Tetradecanoic acid, 3-hydroxy-, (R)-, D-(-)-.BETA.-HYDROXYMYRISTIC ACID, Tetradecanoic acid, 3-hydroxy-, D-(-)-, 3-HYDROXY-MYRISTIC ACID, MFCD00211333, (3R)-3-hydroxymyristic acid, SCHEMBL142894, UNII-R7C245Y68X, (R)-3-hydroxy tetradecanoic acid, DTXCID301735045, BDBM50511000, LMFA01050322, AKOS027320135, AT40460, DB02767, FH24053, HY-W288375, BP-29865, CS-0333355, NS00068819, C22001, Q27093717, (R)-3-Hydroxytetradecanoic acid, (3R)-3-Hydroxy-tetradecanoic acid, D-3-Hydroxytetradecanoic acid, 631-127-5 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 17.0 |
| Description | In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation. (R)-3-Hydroxy-tetradecanoic acid is an intermediate in fatty acid biosynthesis. Specifically, (R)-3-Hydroxy-tetradecanoic 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 | 180.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P49327 |
| Uniprot Id | Q9NQS5 |
| Iupac Name | (3R)-3-hydroxytetradecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C14H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATRNZOYKSNPPBF-CYBMUJFWSA-N |
| Fcsp3 | 0.9285714285714286 |
| Logs | -3.775 |
| Rotatable Bond Count | 12.0 |
| State | Solid |
| Logd | 2.176 |
| Synonyms | (3R)-Hydroxymyristate, (3R)-Hydroxymyristic acid, (R)-3-Hydroxymyristate, (R)-3-Hydroxymyristic acid, b-Hydroxymyristate, b-Hydroxymyristic acid, b-Hydroxytetradecanoate, b-Hydroxytetradecanoic acid, beta-Hydroxymyristate, beta-Hydroxymyristic acid, beta-Hydroxytetradecanoate, beta-Hydroxytetradecanoic acid, β-hydroxymyristate, β-hydroxymyristic acid, β-hydroxytetradecanoate, β-hydroxytetradecanoic acid |
| Compound Name | (R)-3-hydroxytetradecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 244.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.517825 |
| Inchi | InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1 |
| Smiles | CCCCCCCCCCC[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