3-Hydroxypropionic acid
PubChem CID: 68152
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| Compound Synonyms | 3-Hydroxypropionic acid, 503-66-2, 3-Hydroxypropanoic acid, Hydracrylic acid, hydroxypropionic acid, Propanoic acid, 3-hydroxy-, Ethylene lactic acid, beta-Hydroxypropionic acid, 3-HYDROXY-PROPANOIC ACID, beta-Lactic acid, b-Hydroxypropionic acid, Ethylenelactate, hydroxypropionate, UNII-C4ZF6XLD2X, b-Lactic acid, 2-Deoxyglycerate, C4ZF6XLD2X, Glyceric acid, 2-deoxy-, b-Hydroxypropionate, Ethylenelactic acid, Propionic acid, 3-hydroxy-, 3-Hydroxypropionic Acid (contains varying amounts of 3,3-Oxydipropionic Acid), 2-Deoxyglyceric acid, CHEBI:33404, 3-hydroxy-propionic acid, EINECS 207-974-8, MFCD00058998, BRN 0773806, .beta.-Hydroxypropionic acid, HYDRACRYLIC ACID [MI], ALRHLSYJTWAHJZ-UHFFFAOYSA-, DTXSID50198305, 4-03-00-00689 (Beilstein Handbook Reference), 3-Hydroxypropionic Acid, Approx 30% in Water (with varying amounts of 3,3'-Oxydipropanoic Acid), hydracrylate, .beta.-Lactic acid, 3-hydroxy-propanoate, 3-Hydroxypropionic acid, 30% in water, starbld0025936, 3-Hydroxypropionic Acid, 30wt.% in H2O, CHEMBL1205969, DTXCID40120796, BCP05902, BBL102395, STL556197, AKOS009159210, DB03688, FH31242, SB83799, BP-23512, SY003982, DB-006466, DB-331339, CS-0147832, H0297, NS00032045, EN300-52134, 3-Hydroxypropanoic acid, 30% aqueous solution, C01013, 3-Hydroxypropanoic acid - 30% solution in water, Q2823220, 3-HYDROXYPROPIONIC ACID (30% W/W IN WATER), 3-Hydroxypropionic Acid (contains varying amounts of 3,3'-Oxydipropionic Acid), 3-Hydroxypropanoic acid(contains varying amounts of 3,3'-Oxydipropionic Acid) (ca. 30% in Water), 3-Hydroxypropionic acid contains varying amounts of 3,3'-Oxydipropionic Acid (ca. 30% in Water, ca. 3.6mol/L) |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 6.0 |
| Description | Hydroxypropionic acid, also known as 3-hydroxypropionate or hydracrylic acid, belongs to beta hydroxy acids and derivatives class of compounds. Those are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Hydroxypropionic acid is soluble (in water) and a weakly acidic compound (based on its pKa). Hydroxypropionic acid can be synthesized from propionic acid. Hydroxypropionic acid is also a parent compound for other transformation products, including but not limited to, beta-propiolactone, ascr#5, and 3-hydroxypropanoyl-CoA. Hydroxypropionic acid can be found in a number of food items such as apple, poppy, yam, and cupuaçu, which makes hydroxypropionic acid a potential biomarker for the consumption of these food products. Hydroxypropionic acid can be found primarily in blood, cerebrospinal fluid (CSF), feces, and urine. Hydroxypropionic acid exists in all living organisms, ranging from bacteria to humans. In humans, hydroxypropionic acid is involved in the propanoate metabolism. Hydroxypropionic acid is also involved in few metabolic disorders, which include malonic aciduria, malonyl-coa decarboxylase deficiency, and methylmalonic aciduria due to cobalamin-related disorders. Moreover, hydroxypropionic acid is found to be associated with biotinidase deficiency and propionic acidemia. Hydroxypropionic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Hydroxypropanoic acid, or alternately hydroxypropionic acid, may refer to either of two isomeric chemical compounds: 3-Hydroxypropionic acid (hydracrylic acid) Lactic acid (2-hydroxypropanoic acid) . Chronically high levels of hydroxypropionic acid are associated with at least 5 inborn errors of metabolism including: Biotinidase deficiency, Malonic Aciduria, Methylmalonate Semialdehyde Dehydrogenase Deficiency, Methylmalonic Aciduria, Methylmalonic, Aciduria Due to Cobalamin-Related Disorders and Propionic acidemia (T3DB). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 50.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-hydroxypropanoic acid |
| Prediction Hob | 1.0 |
| Xlogp | -1.0 |
| Molecular Formula | C3H6O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ALRHLSYJTWAHJZ-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | 0.756 |
| Rotatable Bond Count | 2.0 |
| Logd | -1.185 |
| Compound Name | 3-Hydroxypropionic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 90.0317 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 90.0317 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 90.08 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | 0.3383164000000002 |
| Inchi | InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6) |
| Smiles | C(CO)C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Africana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aloe Ferox (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Aloe Spicata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients