|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 12:54:54 PM |
|---|
|
Metabolite ID | PAMDB110028 |
|---|
|
Identification |
|---|
| Name: |
2-(4-hydroxyphenyl)-2-oxoacetate |
|---|
| Description: | Conjugate base of 4-hydroxyphenylglyoxylic acid. |
|---|
|
Structure |
|
|---|
| Synonyms: | -
p-hydroxybenzoylformate
-
4-hydroxyphenylglyoxylate
-
4-hydroxybenzoylformate
-
2-(4-hydroxyphenyl)-2-oxo-acetic acid
|
|---|
|
Chemical Formula: |
C8H5O4
|
|---|
| Average Molecular Weight: |
165.12 |
|---|
| Monoisotopic Molecular
Weight: |
166.026608681 |
|---|
| InChI Key: |
KXFJZKUFXHWWAJ-UHFFFAOYSA-M |
|---|
| InChI: |
InChI=1S/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)/p-1 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | (4-hydroxyphenyl)(oxo)acetate |
|---|
|
Traditional IUPAC Name: |
Not Available |
|---|
| SMILES: | C(C(C1(C=CC(O)=CC=1))=O)(=O)[O-] |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-). |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Benzenoids |
|---|
|
Class |
Benzene and substituted derivatives |
|---|
| Sub Class | Benzoyl derivatives |
|---|
|
Direct Parent |
Benzoyl derivatives |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Benzoyl
- Aryl ketone
- Phenoxide
- Alpha-keto acid
- Keto acid
- Alpha-hydroxy ketone
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Organic oxygen compound
- Organic oxide
- Organooxygen compound
- Carbonyl group
- Hydrocarbon derivative
- Organic anion
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework |
Aromatic homomonocyclic compounds |
|---|
| External Descriptors |
- 2-oxo monocarboxylic acid anion (CHEBI:58586)
- a small molecule (CPD-142)
|
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | -1 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
Not Available |
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
Not Available |
|---|
|
References |
|---|
| References: |
Not Available |
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
