4-Hydroxyphenylpyruvic Acid
PubChem CID: 979
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| Compound Synonyms | 4-Hydroxyphenylpyruvic acid, 156-39-8, 3-(4-Hydroxyphenyl)-2-oxopropanoic acid, Testacid, 4-hydroxyphenylpyruvate, p-Hydroxyphenylpyruvic acid, 3-(4-Hydroxyphenyl)pyruvic acid, Testacide, (P-HYDROXYPHENYL)PYRUVIC ACID, 3-(p-Hydroxyphenyl)pyruvic acid, (4-hydroxyphenyl)pyruvic acid, 3-(p-Hydroxyphenyl)-2-oxopropanoic acid, p-hydroxyphenylpyruvate, 3-(4-HYDROXY-PHENYL)PYRUVIC ACID, (p-hydroxyphenyl)-pyruvic acid, Pyruvic acid, p-hydroxyphenyl-, NSC 100738, Pyruvic acid, (p-hydroxyphenyl)-, 4-Hydroxy alpha-oxobenzenepropanoic acid, HPPA, Benzenepropanoic acid, 4-hydroxy-alpha-oxo-, BRN 2691632, 3-(4-Hydroxyphenyl)pyruvate, 4-Hydroxy-a-oxobenzenepropanoic acid, EINECS 205-852-9, UNII-0YP1694WNQ, MFCD00002591, p-hydroxyphenylpyruvic, CHEBI:15999, 3-(4-hydroxyphenyl)-2-oxo-propanoic acid, 4HPPA, 4-Hydroxy-Phenylpyruvate, (p-Hydroxyphenyl)pyruvate, Benzenepropanoic acid, 4-hydroxy-.alpha.-oxo-, (p-hydroxyphenyl)-Pyruvate, 4-HPPA, NSC-100738, NSC-666757, 4-?Hydroxyphenylpyruvic acid, 3-(p-Hydroxyphenyl)-2-oxopropionic acid, 3-(4-Hydroxyphenyl)-2-oxopropionic acid, 0YP1694WNQ, 4-Hydroxy-a-oxobenzenepropanoate, DTXSID80166017, 4-10-00-03630 (Beilstein Handbook Reference), 4-Hydroxy-alpha-oxobenzenepropanoate, 3-(p-Hydroxyphenyl)-2-oxopropionate, NSC666757, 3-(4-Hydroxyphenyl)-2-oxopropionate, 3-(4-hydroxyphenyl)-2-oxo-propanoate, 4-Hydroxy-alpha-oxobenzenepropanoic acid, hydroxyphenylpyruvate, Benzenepropanoic acid, 4-hydroxy-alpha-oxo- (9CI), (4-hydroxyphenyl)pyruvate, 3-(p-Hydroxyphenyl)pyruvate, ENO, para-hydroxyphenylpyruvic acid, 4-ydroxyphenylpyruvic acid, WLN: QVV1R DQ, bmse000262, 4- Hydroxyphenylpyruvic acid, SCHEMBL24157, 3-(4-hydroxy-phenyl)pyruvate, CHEMBL607712, GTPL6629, 4-Hydroxy a-oxobenzenepropanoate, DTXCID9088508, 4-Hydroxyphenylpyruvic acid, 98%, 4-Hydroxy I+--oxobenzenepropanoate, STR05283, 4-Hydroxy a-oxobenzenepropanoic acid, 4-Hydroxy alpha-oxobenzenepropanoate, 3-(p-Hydroxyphenyl)-2-oxopropanoate, BBL104224, GEO-01551, NSC100738, s2995, STL558218, AKOS000136920, 4-Hydroxy I+--oxobenzenepropanoic acid, AC-7498, CS-W010756, DB07718, FD10465, FH37633, HY-W010040, NSC 666757, 3-(4-Hydroxyphenyl)-2-oxopropanoicacid, Benzenepropanoic acid, ?-hydroxy-?-oxo-, p-Hydroxyphenyl-brenztraubensA currencyure, PD005526, Pyruvic acid, (p-hydroxyphenyl)- (8CI), SY050624, 3-(4-hydroxyphenyl)-2-oxo-propionic acid, 3-(4-hydroxy phenyl)-2-oxo propanoic acid, 3-(4-Hydroxyphenyl)-2-oxopropanoic acid #, NS00015136, C01179, EN300-1855716, 4-HYDROXY-.ALPHA.-OXOBENZENEPROPANOIC ACID, Q2823224, 87E988C4-F26C-4E03-9A40-1B0C0B36CA67, 4-Hydroxyphenylpyruvic acid, Grade II, 98-100%, crystalline, (p-Hydroxyphenyl)pyruvic Acid, 3-(4-Hydroxyphenyl)-2-oxopropanoic Acid, , 3-(4-Hydroxyphenyl)-2-oxopropionic Acid, 3-(4-Hydroxyphenyl)pyruvic Acid, , 3-(p-Hydroxyphenyl)-2-oxopropionic Acid, 3-(p-Hydroxyphenyl)pyruvic Acid, , 4-Hydroxy-a-oxobenzenepropanoic Acid, HPPA, NSC 100738, NSC 666757, |
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| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 13.0 |
| Description | 3-(4-hydroxy-phenyl)pyruvic acid, also known as 4-hydroxy a-oxobenzenepropanoate or 3-(p-hydroxyphenyl)-2-oxopropanoate, belongs to phenylpyruvic acid derivatives class of compounds. Those are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. 3-(4-hydroxy-phenyl)pyruvic acid is slightly soluble (in water) and a moderately acidic compound (based on its pKa). 3-(4-hydroxy-phenyl)pyruvic acid can be synthesized from pyruvic acid. 3-(4-hydroxy-phenyl)pyruvic acid can also be synthesized into 4-hydroxyphenylpyruvic acid oxime. 3-(4-hydroxy-phenyl)pyruvic acid can be found in a number of food items such as garden onion (variety), rose hip, sourdough, and horseradish tree, which makes 3-(4-hydroxy-phenyl)pyruvic acid a potential biomarker for the consumption of these food products. 3-(4-hydroxy-phenyl)pyruvic acid can be found primarily in blood and urine, as well as in human prostate tissue. 3-(4-hydroxy-phenyl)pyruvic acid exists in all eukaryotes, ranging from yeast to humans. In humans, 3-(4-hydroxy-phenyl)pyruvic acid is involved in few metabolic pathways, which include disulfiram action pathway, phenylalanine and tyrosine metabolism, and tyrosine metabolism. 3-(4-hydroxy-phenyl)pyruvic acid is also involved in several metabolic disorders, some of which include tyrosinemia type I, phenylketonuria, tyrosinemia, transient, of the newborn, and alkaptonuria. Moreover, 3-(4-hydroxy-phenyl)pyruvic acid is found to be associated with hawkinsinuria and phenylketonuria. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P14174, P17735, P17174, P00505, P22309, P32754, Q96RQ9, P0DMM9, Q8VC69, Q80UJ1 |
| Iupac Name | 3-(4-hydroxyphenyl)-2-oxopropanoic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 0.9 |
| Superclass | Benzenoids |
| Subclass | Phenylpyruvic acid derivatives |
| Molecular Formula | C9H8O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KKADPXVIOXHVKN-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -0.895 |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Logd | 0.241 |
| Synonyms | (4-Hydroxyphenyl)pyruvic acid, (p-Hydroxyphenyl)pyruvic acid, 3-(4-HYDROXY-phenyl)pyruvIC ACID, 3-(4-Hydroxyphenyl)pyruvic acid, 3-(p-Hydroxyphenyl)-2-oxopropanoic acid, 4-Hydroxy alpha-oxobenzenepropanoic acid, p-Hydroxyphenylpyruvic acid, 4-Hydroxyphenylpyruvate, (4-Hydroxyphenyl)pyruvate, (p-Hydroxyphenyl)pyruvate, 3-(4-HYDROXY-phenyl)pyruvate, 3-(4-Hydroxyphenyl)pyruvate, 3-(p-Hydroxyphenyl)-2-oxopropanoate, 4-Hydroxy a-oxobenzenepropanoate, 4-Hydroxy a-oxobenzenepropanoic acid, 4-Hydroxy alpha-oxobenzenepropanoate, 4-Hydroxy α-oxobenzenepropanoate, 4-Hydroxy α-oxobenzenepropanoic acid, p-Hydroxyphenylpyruvate, (p-Hydroxyphenyl)-pyruvate, (p-Hydroxyphenyl)-pyruvic acid, 3-(4-Hydroxyphenyl)-2-oxo-propanoate, 3-(4-Hydroxyphenyl)-2-oxo-propanoic acid, 3-(4-Hydroxyphenyl)-2-oxopropionate, 3-(4-Hydroxyphenyl)-2-oxopropionic acid, 3-(p-Hydroxyphenyl)-2-oxopropionate, 3-(p-Hydroxyphenyl)-2-oxopropionic acid, 3-(p-Hydroxyphenyl)pyruvate, 3-(p-Hydroxyphenyl)pyruvic acid, 4-Hydroxy-a-oxobenzenepropanoate, 4-Hydroxy-a-oxobenzenepropanoic acid, 4-Hydroxy-alpha-oxobenzenepropanoate, 4-Hydroxy-alpha-oxobenzenepropanoic acid, 4HPPA, HPPA, Hydroxyphenylpyruvate, Hydroxyphenylpyruvic acid, p-Hydroxyphenylpyruvic, Testacid, 4-Hydroxyphenylpyruvic acid, ion, 4-Hydroxyphenylpyruvic acid, sodium salt, Para-hydroxyphenylpyruvic acid |
| Compound Name | 4-Hydroxyphenylpyruvic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.042 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.042 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 180.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -1.6738242615384615 |
| Inchi | InChI=1S/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13) |
| Smiles | C1=CC(=CC=C1CC(=O)C(=O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Phenylpyruvic acid derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Limonia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all