L-threonic acid
PubChem CID: 5460407
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | L-threonic acid, Threonate, (2R,3S)-2,3,4-trihydroxybutanoic acid, L-Threonate, 7306-96-9, threonic acid, l-, 75B0PMW2JF, CHEMBL2152047, CHEBI:15908, (2R,3S)-2,3,4-trihydroxy-butanoic acid, Rel-(2r,3s)-2,3,4-trihydroxybutanoic acid, UNII-75B0PMW2JF, threo-2,3,4-Trihydroxybutyric acid, (R-(R*,S*))-2,3,4-Trihydroxybutanoic acid, SCHEMBL925622, Butanoic acid, 2,3,4-trihydroxy-, (R-(R*,S*))-, threo-2,3,4-Trihydroxybutyrate, DTXSID60223339, BDBM50392477, DB11192, MT14833, (R*,S*)-2,3,4-trihydroxy-Butanoate, (2R,3S)-2,3,4-trihydroxybutyric acid, (R*,S*)-2,3,4-trihydroxy-Butanoic acid, NS00015142, C01620, L-Threonic acid lithium salt, >=98.5% (TLC), Q3270244, EB7383E2-8025-4347-A7FA-758A2BED3E16, LTH |
|---|---|
| Topological Polar Surface Area | 98.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 9.0 |
| Description | L-threonic acid, also known as L-threonate or L-threonic acid magnesium salt, belongs to sugar acids and derivatives class of compounds. Those are compounds containing a saccharide unit which bears a carboxylic acid group. L-threonic acid is soluble (in water) and a weakly acidic compound (based on its pKa). L-threonic acid can be found in a number of food items such as buffalo currant, yam, purslane, and bayberry, which makes L-threonic acid a potential biomarker for the consumption of these food products. L-threonic acid can be found primarily in blood. Threonic acid is a sugar acid derived from threose. The L-isomer is a metabolite of ascorbic acid (vitamin C). One study suggested that because L-threonate inhibits DKK1 expression in vitro, it may have potential in treatment of androgenic alopecia . |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | P00591 |
| Iupac Name | (2R,3S)-2,3,4-trihydroxybutanoic acid |
| Prediction Hob | 1.0 |
| Class | Organooxygen compounds |
| Xlogp | -2.1 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbohydrates and carbohydrate conjugates |
| Molecular Formula | C4H8O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JPIJQSOTBSSVTP-STHAYSLISA-N |
| Fcsp3 | 0.75 |
| Logs | -0.183 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | -1.968 |
| Synonyms | L-Threonate, (2R,3S)-2,3,4-Trihydroxybutanoic acid, L-Threonic acid, (2R,3S)-2,3,4-Trihydroxybutanoate, Threonate, Threonic acid, (R-(r*,s*))-isomer, 2,3,4-Trihydroxy-(threo)-butanoic acid, Threonic acid, (r*,r*)-isomer, 2,3,4-Trihydroxybutanoic acid, 2,3,4-Trihydroxybutyric acid, Threonic acid |
| Compound Name | L-threonic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.037 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.037 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 136.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | 0.8560614 |
| Inchi | InChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1 |
| Smiles | C([C@@H]([C@H](C(=O)O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Sugar acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Chlamydomonas Reinhardtii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pycnandra Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all