(2S)-2,3-dihydroxypropanoic acid
PubChem CID: 6326776
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| Compound Synonyms | (2S)-2,3-dihydroxypropanoic acid, 28305-26-2, L-Glyceric acid, (S)-Glyceric acid, Glyceric acid, l-, L-glycerate, Glyceric acid, (2S)-, (S)-2,3-Dihydroxypropanoic acid, Glyceric acid, l(+) form, Propanoic acid,2,3-dihydroxy-, (2S)-, 5O316U8TKI, MFCD01318549, UNII-5O316U8TKI, (S)-Glycerate, Propanoic acid, 2,3-dihydroxy-, (2S)-, (S)-2,3-Dihydroxypropanoate, SCHEMBL2905876, (S)-2,3-dihydroxy-Propanoate, CHEMBL4556656, (S)-2,3-Dihydroxypropanoicacid, CHEBI:74324, (2S)-2,3-dihydroxy-Propanoate, DTXSID00182557, GLYCERIC ACID L(+)-FORM, RBNPOMFGQQGHHO-REOHCLBHSA-N, (S)-2,3-dihydroxy-Propanoic acid, (2S)-2,3-dihydroxy-Propanoic acid, AKOS006278407, FG29287, GLYCERIC ACID L(+)-FORM [MI], BS-25287, DB-067914, HY-113377, CS-0062334, G88820, (S)-Glycerate, (S)-2,3-Dihydroxypropanoic acid, Q27144614 |
|---|---|
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 7.0 |
| Description | L-glyceric acid is a human urinary metabolite present in patients with L-Glyceric aciduria. The formation of L-glyceric acid from accumulated hydroxypyruvate is due to deficiency of human glyoxylate reductase/hydroxypyruvate reductase (GRHPR, EC 1.1.1.81), a D-2-hydroxy-acid dehydrogenase that plays a critical role in the removal of the metabolic by-product glyoxylate from within the liver. Deficiency of this enzyme is the underlying cause of primary hyperoxaluria type 2 (PH2) and leads to increased urinary oxalate levels, formation of kidney stones and renal failure. (PMID: 16756993) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2,3-dihydroxypropanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.5 |
| Molecular Formula | C3H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBNPOMFGQQGHHO-REOHCLBHSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.083 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | -1.756 |
| Synonyms | (2S)-2,3-Dihydroxy-propanoate, (2S)-2,3-Dihydroxy-propanoic acid, (S)-2,3-Dihydroxy-propanoate, (S)-2,3-Dihydroxy-propanoic acid, (S)-2,3-Dihydroxypropanoate, (S)-2,3-Dihydroxypropanoic acid, (S)-Glycerate, (S)-Glyceric acid, L-Glycerate |
| Compound Name | (2S)-2,3-dihydroxypropanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 106.027 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.027 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 106.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.5856226000000002 |
| Inchi | InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)/t2-/m0/s1 |
| Smiles | C([C@@H](C(=O)O)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients