3-Hydroxydodecanoic acid
PubChem CID: 94216
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| Compound Synonyms | 3-Hydroxydodecanoic acid, 1883-13-2, 3-Hydroxylauric acid, Dodecanoic acid, 3-hydroxy-, beta-Hydroxylauric acid, 3-hydroxy lauric acid, 3-hydroxy-dodecanoic acid, 53941-38-1, 3-OH lauric acid, beta-OH lauric acid, 3-OH dodecanoic acid, beta-OH dodecanoic acid, MFCD00133279, beta-Hydroxydodecanoic acid, DL-beta-Hydroxylauric acid, 3-(R)-Hydroxydodecanoic acid, CHEMBL4288936, CHEBI:36206, DTXSID70862773, Dodecanoic acid,3-hydroxy-, 3-HYDROXYDODECANOICACID, .beta.-Hydroxylauric acid, DL-(2)-Hydroxylauric acid, .beta.-Hydroxydodecanoic acid, SCHEMBL154695, GTPL5850, DTXCID80811494, BAA88313, BBL102425, BDBM50511002, LMFA01050037, STL556227, AKOS017343263, Dodecanoic acid, 3-hydroxy-, (+/-)-, AS-80656, PD048981, DB-006465, DL-beta-Hydroxylauric acid, >=99% (GC), HY-113107, CS-0059590, NS00123586, E97715, Q27073732, 69C8C72D-C02B-412C-A98C-3B1E0632C948 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Description | 3-Hydroxydodecanoic acid is a medium-chain fatty acid associated with fatty acid metabolic disorders (PMID 11948802). Deficiency of medium-chain acyl-CoA dehydrogenase is characterized by intolerance to prolonged fasting, recurrent episodes of hypoglycemic coma with medium-chain dicarboxylic aciduria, impaired ketogenesis, and low plasma and tissue carnitine levels. (OMIM 201450) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxydodecanoic acid |
| Prediction Hob | 1.0 |
| Class | Hydroxy acids and derivatives |
| Xlogp | 3.6 |
| Superclass | Organic acids and derivatives |
| Subclass | Medium-chain hydroxy acids and derivatives |
| Molecular Formula | C12H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUCMKTPAZLSKTL-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -2.927 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 1.898 |
| Synonyms | (RS)-3-Hydroxylaurate, (RS)-3-Hydroxylauric acid, 11:0(3-OH), 3-hydroxy-dodecanoate, 3-hydroxy-dodecanoic acid, 3-Hydroxydodecanoate, 3-Hydroxydodecanoic acid, 3-Hydroxylaurate, 3-Hydroxylauric acid, 3-OH Dodecanoate, 3-OH Dodecanoic acid, 3-OH Laate, 3-OH Laic acid, 3-OH Lauric acid, b-Hydroxydodecanoate, b-Hydroxydodecanoic acid, b-Hydroxylaate, b-Hydroxylaic acid, b-Hydroxylaurate, b-Hydroxylauric acid, b-OH Dodecanoate, b-OH Dodecanoic acid, b-OH Laate, b-OH Laic acid, beta-hydroxydodecanoate, beta-hydroxydodecanoic acid, beta-Hydroxylaate, beta-Hydroxylaic acid, beta-hydroxylaurate, beta-hydroxylauric acid, beta-OH Dodecanoate, beta-OH Dodecanoic acid, beta-OH Laate, beta-OH Laic acid, beta-OH Lauric acid, DL-b-Hydroxydodecanoate, DL-b-Hydroxydodecanoic acid, DL-beta-Hydroxydodecanoate, DL-beta-Hydroxydodecanoic acid, β-hydroxydodecanoate, β-hydroxydodecanoic acid, β-hydroxylaate, β-hydroxylaic acid, β-OH dodecanoate, β-OH dodecanoic acid, β-OH laate, β-OH laic acid |
| Substituent Name | Medium-chain hydroxy acid, Medium-chain fatty acid, Beta-hydroxy acid, Fatty acyl, Fatty acid, Secondary alcohol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | 3-Hydroxydodecanoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 216.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7954901999999997 |
| Inchi | InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h11,13H,2-10H2,1H3,(H,14,15) |
| Smiles | CCCCCCCCCC(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