Enol-phenylpyruvate
PubChem CID: 641637
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| Compound Synonyms | enol-phenylpyruvate, 2-hydroxy-3-phenylacrylic acid, 5801-57-0, 2-Hydroxy-3-phenylpropenoate, alpha-hydroxycinnamic acid, (Z)-2-hydroxy-3-phenylprop-2-enoic acid, enol-alpha-Ketohydrocinnamic acid, 2-Hydroxy-3-phenylpropenoic acid, 2-Propenoic acid, 2-hydroxy-3-phenyl-, (2Z)-2-hydroxy-3-phenylprop-2-enoic acid, 52178-60-6, 2-?Hydroxy-?3-?phenyl-?acrylic Acid, 2-hydroxy-3-phenylacrylate, CHEBI:16815, 2-hydroxy-3-phenylprop-2-enoate, enol-a-Ketohydrocinnamate, enol-alpha-Ketohydrocinnamate, CHEMBL4573909, DEDGUGJNLNLJSR-VURMDHGXSA-N, (Z)-2-Hydroxy-3-phenylacrylic acid, MFCD20638409, NSC280708, NSC-280708, C02763, Q47459420, 2-Hydroxy-3-phenyl-acrylic Acid, 2-Propenoic acid, 2-hydroxy-3-phenyl-, (2Z)- (9CI, ACI), (2Z)-2-Hydroxy-3-phenyl-2-propenoic acid (ACI), 2-Propenoic acid, 2-hydroxy-3-phenyl-, (Z)- (ZCI), (Z)-2-Hydroxy-3-phenylacrylic acid, cis-2-Hydroxycinnamic acid, InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Description | Enol-phenylpyruvate is reversibly produced from keto-phenylpyruvate, a reaction catalyzed by phenylpyruvate tautomerase [EC:5.3.2.1]. Phenylpyruvate tautomerase, also known as macrophage migration inhibitory factor (glycosylation-inhibiting factor), is involved in the tyrosine and phenylalanine metabolism pathways. [HMDB]. Enol-phenylpyruvate is found in many foods, some of which are oil-seed camellia, white cabbage, epazote, and dandelion. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | P14174 |
| Uniprot Id | P14174 |
| Iupac Name | (Z)-2-hydroxy-3-phenylprop-2-enoic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.7 |
| Superclass | Benzenoids |
| Subclass | Phenylpyruvic acid derivatives |
| Molecular Formula | C9H8O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEDGUGJNLNLJSR-VURMDHGXSA-N |
| Fcsp3 | 0.0 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 2-Hydroxy-3-phenylpropenoate, 2-Hydroxy-3-phenylpropenoic acid, enol-a-Ketohydrocinnamate, enol-a-Ketohydrocinnamic acid, enol-alpha-Ketohydrocinnamate, Enol-alpha-ketohydrocinnamic acid, Enol-phenylpyruvic acid, enol-α-ketohydrocinnamate, enol-α-ketohydrocinnamic acid, Phenylpyruvate, enol-Phenylpyruvic acid, enol-alpha-Ketohydrocinnamic acid, enol-Α-ketohydrocinnamate, enol-Α-ketohydrocinnamic acid, enol-Phenylpyruvate |
| Substituent Name | Enol-phenylpyruvate, Cinnamic acid or derivatives, Cinnamic acid, Phenylpropene, Monocarboxylic acid or derivatives, Enol, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Enol-phenylpyruvate |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 164.047 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.047 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 164.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -2.406192 |
| Inchi | InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/b8-6- |
| Smiles | C1=CC=C(C=C1)/C=C(/C(=O)O)\O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Phenylpyruvic acid derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Cichorium Glandulosum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cichorium Intybus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cinnamomum Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients