| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:32:01 UTC |
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| Update date | 2017-01-19 02:36:33 UTC |
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| FoodComEx ID | PC000695 |
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| FoodDB Record | FDB023313 |
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| Chemical Information |
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| Name | Phosphonoacetate |
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| Description | A simple organophosphorus compound that inhibits DNA polymerase, especially in viruses and is used as an antiviral agent. [HMDB] |
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| CAS Number | 4408-78-0 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Carboxymethaneonate | HMDB | | Carboxymethaneonic acid | HMDB | | Carboxymethanephosphonate | hmdb | | Carboxymethanephosphonic acid | hmdb | | Disodium carboxymethylonate | HMDB | | Disodium carboxymethylphosphonate | hmdb | | Disodium onoacetate | HMDB | | Disodium onoacetate monohydrate | HMDB | | Disodium phosphonoacetate | hmdb | | Disodium phosphonoacetate monohydrate | hmdb | | Fosfonet | hmdb | | Fosfonet sodium | hmdb | | Fosfonoacetate | hmdb | | Fosfonoacetic acid | hmdb | | Lopac-P-6909 | hmdb | | Onacetate | HMDB | | Onacetic acid | HMDB | | Onoacetate | ChEBI | | Onoacetic acid | ChEBI | | PAE | hmdb | | Phosphonacetate | hmdb | | Phosphonacetic acid | hmdb | | Phosphonoacetate | hmdb | | Phosphonoacetic acid | hmdb | | PPA | hmdb |
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| Chemical Formula | C2H5O5P |
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| IUPAC name | 2-phosphonoacetic acid |
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| InChI Identifier | InChI=1S/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7) |
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| InChI Key | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
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| Isomeric SMILES | OC(=O)CP(O)(O)=O |
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| Average Molecular Weight | 140.0319 |
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| Monoisotopic Molecular Weight | 139.987459782 |
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| Chemical Taxonomy |
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| Description | 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
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organophosphorus compound
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 800 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| MetaSci | HMDB0004110 |
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| Sigma-Aldrich | HMDB0004110 |
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| Toronto Research Chemicals | P364510 |
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