Glyceric acid
PubChem CID: 752
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| Compound Synonyms | GLYCERIC ACID, DL-Glyceric acid, 473-81-4, 2,3-Dihydroxypropanoic acid, 600-19-1, Propanoic acid, 2,3-dihydroxy-, Glycerolic acid, Glyceronic acid, beta-Hydroxylactic acid, DL-2,3-Dihydroxypropionic Acid, 2,3-Dihydroxypropanoic acid(20% in water), 2,3-dihydroxypropionic acid, 70KH64UX7G, EINECS 207-472-9, GLYCERIC ACID [MI], 118916-26-0, CHEBI:33508, DTXSID80861979, NSC9227, MFCD00065927, Glyceric Acid (20% in Water,ca.2 mol/L), alpha,beta-Hydroxypropionic acid, a,b-Hydroxypropionate, a,b-Hydroxypropionic acid, C3H6O4, Glyceric acid, DL-, (+-)-Glyceric acid, UNII-70KH64UX7G, glycerol ether, a-hydroxylactic acid, GLYCERIC ACID, (D), SCHEMBL38462, DL-2,3-Dihydroxypropanoic acid, DTXCID50219004, GLYCERIC ACID, (+/-), GLYCERIC ACID, (+/-)-, NSC-9227, DL-Glyceric acid, (20% in water), STL268888, AKOS015893067, CS-W018821, FG29286, FS-4174, HY-W018035, SB44946, Propanoic acid,3-dihydroxy-, (.+-.)-, SY054966, 2,3-Dihydroxypropanoic acid 20% in water, DB-053514, DB-070797, DB-072735, D0602, NS00079803, 2,3-Dihydroxypropanoic acid (20% in water), A51166, DL-Glyceric acid - 20% in Water ca. 2mol/L, DL-Glyceric Acid (20% in Water, ca. 2mol/L), DL-Glyceric acid, (20% in Water ca. 2mol/L), 2,3-Dihydroxypropanoic acid [20% in water w/w], Q424906, 3E9B4D59-D526-4D1F-A6D8-566E4D962CA5, DL-GLYCERIC ACID (20% IN WATER, CA. 2MOL/L) 95%, InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7, 207-472-9, 74I |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 77.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | True |
| Np Classifier Class | Hydroxy fatty acids |
| Deep Smiles | OCCC=O)O))O |
| Heavy Atom Count | 7.0 |
| Pathway Kegg Map Id | map00561, map00260 |
| Classyfire Class | Organooxygen compounds |
| Description | A colorless syrupy acid, obtained from oxidation of glycerol. It is a compound that is secreted excessively in the urine by patients suffering from D-glyceric aciduria and D-glycerate anemia. Deficiency of human glycerate kinase leads to D-glycerate acidemia/D-glyceric aciduria. Symptoms of the disease include progressive neurological impairment, hypotonia, seizures, failure to thrive and metabolic acidosis., Glyceric acid is a natural three-carbon sugar acid. Salts and esters of glyceric acid are known as glycerates. Glyceric acid is found in many foods, some of which are peanut, common grape, garden tomato (variety), and french plantain. |
| Classyfire Subclass | Carbohydrates and carbohydrate conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 69.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | Q8IVS8 |
| Iupac Name | 2,3-dihydroxypropanoic acid |
| Prediction Hob | 1.0 |
| Class | Carbohydrates and carbohydrate conjugates |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | -1.5 |
| Superclass | Organooxygen compounds |
| Subclass | Sugar acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C3H6O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RBNPOMFGQQGHHO-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.083 |
| Rotatable Bond Count | 2.0 |
| State | Liquid |
| Logd | -1.756 |
| Synonyms | (R)-Glycerate, 2,3-Dihydroxypropanoic acid, a,b-Hydroxypropionate, a,b-Hydroxypropionic acid, alpha,beta-Hydroxypropionate, alpha,beta-Hydroxypropionic acid, Glycerate, Glyceric acid, Glyceronic acid, R-Glycerate, R-Glyceric acid, α,β-hydroxypropionate, α,β-hydroxypropionic acid, D-2,3-Dihydroxypropanoic acid, D-Glycerate, D-Glyceric acid, R-2,3-Dihydroxypropanoic acid, glyceric acid |
| Substituent Name | Sugar acid, Glyceric_acid, Beta-hydroxy acid, Monosaccharide, Hydroxy acid, Alpha-hydroxy acid, Secondary alcohol, 1,2-diol, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Primary alcohol, Carbonyl group, Alcohol, Aliphatic acyclic compound |
| Esol Class | Highly soluble |
| Functional Groups | CC(=O)O, CO |
| Compound Name | Glyceric acid |
| Kingdom | Organic compounds |
| 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 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | 0.5856226000000002 |
| Inchi | InChI=1S/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7) |
| Smiles | C(C(C(=O)O)O)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
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