Metabolomics Structure Database
|
|
| MW REGNO: | 1468 |
| Common Name: | (R)-3-Hydroxy-tetradecanoic acid |
| Systematic Name: | 3R-hydroxy-tetradecanoic acid |
| Synonyms: | Tetradecanoic acid, 3-hydroxy-, (R)-; Tetradecanoic acid, 3-hydroxy-, D-(-)-; (3R)-3-Hydroxytetradecanoic acid; (R)-(-)-3-Hydroxytetradecanoic acid; (R)-3-Hydroxymyristic acid; (R)-3-Hydroxytetradecanoic acid; D-(-)-beta-Hydroxymyristic acid; D-3-Hydroxyte [PubChem Synonyms] |
| Exact Mass: | |
| Formula: | C14H28O3 |
| InChIKey: | ATRNZOYKSNPPBF-CYBMUJFWSA-N |
| LIPID MAPS Category: | Fatty Acyls [FA] |
| LIPID MAPS mainclass: | Fatty Acids and Conjugates [FA01] |
| LIPID MAPS subclass: | Hydroxy fatty acids [FA0105] |
| SMILES: | CCCCCCCCCCC[C@H](CC(=O)O)O |
| Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
Calculated physicochemical properties (?):
| Heavy Atoms: | 17 |
| Rings: | 0 |
| Aromatic Rings: | 0 |
| Rotatable Bonds: | 12 |
| van der Waals Molecular volume: | 274.49 Å3 molecule-1 |
| Toplogical Polar Sufrace Area: | 57.53 Å2 molecule-1 |
| Hydrogen Bond Donors: | 2 |
| Hydrogen Bond Acceptors: | 3 |
| logP: | 4.03 |
| Molar Refractivity: | 70.62 |
| Fraction sp3 Carbons: | 0.93 |
| sp3 Carbons: | 13 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y
