(3R)-3-Hydroxydodecanoic acid
PubChem CID: 5312804
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| Compound Synonyms | (3R)-3-Hydroxydodecanoic acid, (R)-3-hydroxydodecanoic acid, 28254-78-6, D-3-Hydroxydodecanoic acid, D-(-)-3-Hydroxydodecanoic acid, 3R-hydroxy-dodecanoic acid, CHEBI:43197, DTXSID30415603, Dodecanoic acid, 3-hydroxy-, (R)-, Dodecanoic acid, 3-hydroxy-, D-(-)- (8CI), HXD, 3-OH-DODECANOATE, (R)-3-OH lauric acid, (R)-beta-OH lauric acid, (R)-3-hydroxylauric acid, Compound NP-003482, (3R)-3-hydroxylauric acid, (R)-3-hydroxydodecanoicacid, (R)-3-OH dodecanoic acid, (R)-beta-hydroxylauric acid, (R)-beta-OH dodecanoic acid, SCHEMBL1268124, (R)-beta-hydroxydodecanoic acid, CHEMBL1233457, DTXCID60366452, LMFA01050251, AKOS032947010, DB07930, NS00071378, Q27097164 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Description | In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.(R)-3-Hydroxydodecanoic acid is an intermediate in fatty acid biosynthesis. Specifically,(R)-3-Hydroxydodecanoic acid is converted from 3-Oxo-Dodecanoic acid via two enzymes, fatty-acid Synthase and 3-oxoacyl-[acyl-carrier-protein] reductase (EC: 2.3.1.85 and EC: 1.1.1.100) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 157.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Enzyme Uniprot Id | P49327 |
| Iupac Name | (3R)-3-hydroxydodecanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C12H24O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MUCMKTPAZLSKTL-LLVKDONJSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -3.096 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 1.767 |
| Synonyms | (3R)-3-HYDROXYDODECANOate, (3R)-3-HYDROXYDODECANOIC ACID, (R)-3-Hydroxydodecanoate, (R)-3-OH Dodecanoate, (R)-3-OH Dodecanoic acid, (R)-3-OH Laate, (R)-3-OH Laic acid, (R)-3-OH Lauric acid, (R)-b-Hydroxydodecanoate, (R)-b-Hydroxydodecanoic acid, (R)-b-Hydroxylaate, (R)-b-Hydroxylaic acid, (R)-b-OH Dodecanoate, (R)-b-OH Dodecanoic acid, (R)-b-OH Lauric aci, (R)-beta-Hydroxydodecanoate, (R)-beta-Hydroxydodecanoic acid, (R)-beta-Hydroxylaate, (R)-beta-Hydroxylaic acid, (R)-beta-Hydroxylauric acid, (R)-beta-OH Dodecanoate, (R)-beta-OH Dodecanoic acid, (R)-beta-OH Lauric aci, (R)-β-hydroxydodecanoate, (R)-β-hydroxydodecanoic acid, (R)-β-hydroxylaate, (R)-β-hydroxylaic acid, (R)-β-OH dodecanoate, (R)-β-OH dodecanoic acid, (R)-β-OH lauric aci |
| Compound Name | (3R)-3-Hydroxydodecanoic acid |
| 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)/t11-/m1/s1 |
| Smiles | CCCCCCCCC[C@H](CC(=O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Hypericum Perforatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all