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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110068 |
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Identification |
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| Name: |
enol-phenylpyruvate |
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| Description: | A 2-hydroxy monocarboxylic acid that is the enol-form of phenylpyruvic acid, consisting of acrylic acid having a hydroxy substituent at the 2-position and a phenyl group at the 3-position. |
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Structure |
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| Synonyms: | - α-ketohydrocinnamic acid
- 3-phenyl-2-oxopropanoate
- phenylpyruvate
3-phenylpyruvate- 3-phenylpyruvic acid'
- WIDTH
- 488);" onmouseout="return nd();">2-oxo-3-phenylpropanoate.
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Chemical Formula: |
C9H7O3
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| Average Molecular Weight: |
164.0473441231 |
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| Monoisotopic Molecular
Weight: |
164.0473441231 |
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| InChI Key: |
DEDGUGJNLNLJSR-VURMDHGXSA-M |
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| InChI: |
InChI=1S/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)/p-1/b8-6- |
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| CAS
number: |
5801-57-0 |
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| IUPAC Name: | 2-hydroxy-3-phenylprop-2-enoic acid |
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Traditional IUPAC Name: |
DL-?-hydroxycinnamic acid |
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| SMILES: | C([O-])(=O)C(O)=CC1(C=CC=CC=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as phenylpyruvic acid derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Benzenoids |
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| Sub Class | Benzene and substituted derivatives |
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Direct Parent |
Phenylpyruvic acid derivatives |
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| Alternative Parents |
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| Substituents |
- Enol-phenylpyruvate
- Cinnamic acid or derivatives
- Cinnamic acid
- Monocarboxylic acid or derivatives
- Enol
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
Not Available |
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Physical Properties |
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| State: |
Solid |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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