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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110411 |
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Identification |
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| Name: |
phosphonoacetaldehyde |
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| Description: | An organophosphonate oxoanion that is the conjugate base of phosphonoacetaldehyde, arising from deprotonation of one of the two phosphonate OH groups; major species at pH 7.3. |
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Structure |
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| Synonyms: | -
2-phosphonoacetaldehyde
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phosphonic acid
- (2-oxoethyl)-
-
acetylphosphonate
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Chemical Formula: |
C2H4O4P
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| Average Molecular Weight: |
123.02 |
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| Monoisotopic Molecular
Weight: |
123.9925451589 |
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| InChI Key: |
YEMKIGUKNDOZEG-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | hydrogen (2-oxoethyl)phosphonate |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | [CH](CP([O-])(O)=O)=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid. |
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Kingdom |
Organic compounds |
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| Super Class | Organic acids and derivatives |
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Class |
Organic phosphonic acids and derivatives |
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| Sub Class | Organic phosphonic acids |
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Direct Parent |
Organic phosphonic acids |
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| Alternative Parents |
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| Substituents |
- Organophosphonic acid
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organophosphorus compound
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Organic anion
- Aliphatic acyclic compound
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| Molecular Framework |
Aliphatic acyclic compounds |
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| External Descriptors |
- organophosphonate oxoanion (CHEBI:58383)
- an organophosphonate (CPD-551)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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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