12-Hydroxydodecanoic Acid
PubChem CID: 79034
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| Compound Synonyms | 12-Hydroxydodecanoic acid, 505-95-3, 12-hydroxylauric acid, Dodecanoic acid,12-hydroxy-, Dodecanoic acid, 12-hydroxy-, 12-hydroxy-dodecanoic acid, Sabinic acid, 12-hydroxy lauric acid, omega-hydroxylauric acid, CHEBI:39567, SUH3LR2K9D, omega-Hydroxydodecanoic acid, omega-OH lauric acid, omega-hydroxydodecanoate, omega-OH dodecanoic acid, omega-hydroxy lauric acid, EINECS 208-025-0, MFCD00002739, NSC 159293, NSC 664211, NSC-159293, NSC-664211, CHEMBL55068, DTXSID90198521, NSC664211, 12-HYDROXYDODECANOICACID, 12H, omega hydroxy dodecanoate, UNII-SUH3LR2K9D, 12-hydroxy dodecanoic acid, omega hydroxy dodecanoic acid, omega-hydroxy dodecanoic acid, SCHEMBL154530, GTPL6922, HO-(CH2)11-CO2H, DTXCID50121012, 12-Hydroxydodecanoic acid, 97%, BCP29357, BDBM50511009, LMFA01050039, NSC159293, s3089, AKOS015893931, DB03704, BP-12860, DS-15787, SY022052, DB-030561, HY-128743, CS-0102534, NS00014775, C08317, O10368, Q27070761, Dodecanoic acid, 12-hydroxy- pound>>12-hydroxy-dodecanoic acid, 12-Hydroxydodecanoic acid, 208-025-0, 27925-01-5 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Description | 12-hydroxydodecanoic acid is the substrate of the human glutathione-dependent formaldehyde dehydrogenase (EC1.1.1.1) . The enzyme that catalyzes the conversion of alcohols to aldehydes is a zinc-containing dimeric enzyme responsible for the oxidation of long-chain alcohols and omega-hydroxy fatty acids. (OMIM) The human glutathione-dependent formaldehyde dehydrogenase is unique among the structurally studied members of the alcohol dehydrogenase family in that it follows a random bi kinetic mechanism forming a binary complex, and a ternary complex with NAD+. (PMID 12196016) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 146.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NQS5, Q5NUL3, O14842 |
| Iupac Name | 12-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 | ZDHCZVWCTKTBRY-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Rotatable Bond Count | 11.0 |
| State | Solid |
| Synonyms | 12-Hydroxy laate, 12-Hydroxy laic acid, 12-Hydroxy lauric acid, 12-Hydroxydodecanoate, 12-Hydroxydodecanoic acid, 12-Hydroxylaurate, 12-Hydroxylauric acid, 2-Hydroxy-dodecanoate, 2-Hydroxy-dodecanoic acid, omega hydroxy dodecanoate, omega hydroxy dodecanoic acid, Omega-hydroxy laate, Omega-hydroxy laic acid, Omega-hydroxy lauric acid, omega-Hydroxydodecanoate, omega-Hydroxydodecanoic acid, Omega-OH dodecanoate, Omega-OH dodecanoic acid, Omega-OH laate, Omega-OH laic acid, Omega-OH lauric acid, Omega-hydroxydodecanoic acid, Omega-hydroxydodecanoate, Omega hydroxy dodecanoate, Omega hydroxy dodecanoic acid, Omega-hydroxylauric acid, Sabinate |
| Substituent Name | Medium-chain hydroxy acid, Medium-chain fatty acid, Fatty acyl, Fatty acid, Straight chain fatty acid, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Organooxygen compound, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Compound Name | 12-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 | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.7105901999999995 |
| Inchi | InChI=1S/C12H24O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h13H,1-11H2,(H,14,15) |
| Smiles | C(CCCCCC(=O)O)CCCCCO |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Medium-chain hydroxy acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Oxycedrus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pterocarpus Dalbergioides (Plant) Rel Props:Source_db:npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Tetradenia Riparia (Plant) Rel Props:Source_db:npass_chem_all